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[ CAS No. 91183-71-0 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
Chemical Structure| 91183-71-0
Chemical Structure| 91183-71-0
Structure of 91183-71-0 * Storage: {[proInfo.prStorage]}

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Quality Control of [ 91183-71-0 ]

Related Doc. of [ 91183-71-0 ]

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Product Citations

Product Details of [ 91183-71-0 ]

CAS No. :91183-71-0 MDL No. :MFCD00038896
Formula : C9H20ClNO2S Boiling Point : No data available
Linear Structure Formula :- InChI Key :KZJQROCWHZGZBJ-FJXQXJEOSA-N
M.W : 241.78 Pubchem ID :13141795
Synonyms :
Chemical Name :H-Met-OtBu.HCl

Calculated chemistry of [ 91183-71-0 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 14
Num. arom. heavy atoms : 0
Fraction Csp3 : 0.89
Num. rotatable bonds : 6
Num. H-bond acceptors : 3.0
Num. H-bond donors : 1.0
Molar Refractivity : 63.96
TPSA : 77.62 ?2

Pharmacokinetics

GI absorption : High
BBB permeant : No
P-gp substrate : No
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -6.33 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.0
Log Po/w (XLOGP3) : 2.03
Log Po/w (WLOGP) : 2.21
Log Po/w (MLOGP) : 1.7
Log Po/w (SILICOS-IT) : 1.26
Consensus Log Po/w : 1.44

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 0.0
Bioavailability Score : 0.55

Water Solubility

Log S (ESOL) : -2.22
Solubility : 1.45 mg/ml ; 0.006 mol/l
Class : Soluble
Log S (Ali) : -3.29
Solubility : 0.125 mg/ml ; 0.000516 mol/l
Class : Soluble
Log S (SILICOS-IT) : -1.78
Solubility : 3.98 mg/ml ; 0.0165 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 2.99

Safety of [ 91183-71-0 ]

Signal Word:Warning Class:
Precautionary Statements:P261-P280-P305+P351+P338 UN#:
Hazard Statements:H302-H315-H319-H332-H335 Packing Group:
GHS Pictogram:

Application In Synthesis of [ 91183-71-0 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

  • Downstream synthetic route of [ 91183-71-0 ]

[ 91183-71-0 ] Synthesis Path-Downstream   1~12

  • 1
  • [ 50-00-0 ]
  • [ 73400-26-7 ]
  • [ 91183-71-0 ]
  • [ 136789-10-1 ]
  • 2
  • [ 91183-71-0 ]
  • [ 530-62-1 ]
  • [ 106015-56-9 ]
  • 3
  • [ 83896-44-0 ]
  • [ 91183-71-0 ]
  • glycyrrhizic acid L-methionine tert-butyl ester triamide [ No CAS ]
  • 4
  • [ 91183-71-0 ]
  • [ 166169-36-4 ]
  • [ 166169-37-5 ]
  • 5
  • [ 50-00-0 ]
  • [ 91183-71-0 ]
  • 2-methyleneamino-4-methylsulfanyl-butyric acid <i>tert</i>-butyl ester [ No CAS ]
  • 6
  • [ 138-41-0 ]
  • [ 91183-71-0 ]
  • 4-methylsulfanyl-2-(4-sulfamoyl-benzoylamino)-butyric acid <i>tert</i>-butyl ester [ No CAS ]
  • 7
  • [ 1205-30-7 ]
  • [ 91183-71-0 ]
  • 2-(4-chloro-3-sulfamoyl-benzoylamino)-4-methylsulfanyl-butyric acid <i>tert</i>-butyl ester [ No CAS ]
  • 8
  • [ 91183-71-0 ]
  • [ 501-52-0 ]
  • N-methyl-L-phenylalanine allyl ester hydrochloride [ No CAS ]
  • N,O-dimethyl-L-tyrosine allyl ester hydrochloride [ No CAS ]
  • Fmoc-D-Tyr(O-Wang resin)-OAll [ No CAS ]
  • N-3-phenylpropionyl-D-tyrosyl-N,O-dimethyl-L-tyrosyl-N-methyl-L-phenylalanyl-L-methionine methyl ester [ No CAS ]
  • 9
  • [ 91183-71-0 ]
  • [ 4457-32-3 ]
  • N-methyl-L-phenylalanine allyl ester hydrochloride [ No CAS ]
  • N,O-dimethyl-L-tyrosine allyl ester hydrochloride [ No CAS ]
  • Fmoc-D-Tyr(O-Wang resin)-OAll [ No CAS ]
  • (S)-2-[(S)-2-[(R)-3-(4-Hydroxy-phenyl)-2-(4-nitro-benzyloxycarbonylamino)-propionyl]-methyl-amino}-3-(4-methoxy-phenyl)-propionyl]-methyl-amino}-3-phenyl-propionic acid [ No CAS ]
  • N-4-nitrobenzyloxycarbonyl-D-tyrosyl-N,O-dimethyl-L-tyrosyl-N-methyl-L-phenylalanyl-L-methionine [ No CAS ]
  • N-4-nitrobenzyloxycarbonyl-D-tyrosyl-N,O-dimethyl-L-tyrosyl-N-methyl-L-phenylalanyl-L-methionine sulfoxide [ No CAS ]
  • 10
  • [ 852325-32-7 ]
  • [ 91183-71-0 ]
  • [ 852325-33-8 ]
  • 11
  • [ 91183-71-0 ]
  • [ 150841-01-3 ]
  • 3-oxo-17β-(O-tert-butyl-L-methionin-N-yl)carbonyl-28-norlup-20(29)-ene [ No CAS ]
  • 12
  • [ 91183-71-0 ]
  • [ 136789-10-1 ]
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