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[ CAS No. 7524-52-9 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
Chemical Structure| 7524-52-9
Chemical Structure| 7524-52-9
Structure of 7524-52-9 * Storage: {[proInfo.prStorage]}

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Quality Control of [ 7524-52-9 ]

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Product Details of [ 7524-52-9 ]

CAS No. :7524-52-9 MDL No. :MFCD00066134
Formula : C12H15ClN2O2 Boiling Point : -
Linear Structure Formula :(C8H6NCH2)CH(COOCH3)NH3Cl InChI Key :XNFNGGQRDXFYMM-PPHPATTJSA-N
M.W : 254.71 Pubchem ID :2734891
Synonyms :
Chemical Name :H-Trp-OMe.HCl

Calculated chemistry of [ 7524-52-9 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 17
Num. arom. heavy atoms : 9
Fraction Csp3 : 0.25
Num. rotatable bonds : 4
Num. H-bond acceptors : 3.0
Num. H-bond donors : 2.0
Molar Refractivity : 68.64
TPSA : 68.11 ?2

Pharmacokinetics

GI absorption : High
BBB permeant : Yes
P-gp substrate : No
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -6.19 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.0
Log Po/w (XLOGP3) : 2.35
Log Po/w (WLOGP) : 2.01
Log Po/w (MLOGP) : 1.11
Log Po/w (SILICOS-IT) : 2.04
Consensus Log Po/w : 1.5

Druglikeness

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

Water Solubility

Log S (ESOL) : -3.03
Solubility : 0.239 mg/ml ; 0.000939 mol/l
Class : Soluble
Log S (Ali) : -3.42
Solubility : 0.0968 mg/ml ; 0.00038 mol/l
Class : Soluble
Log S (SILICOS-IT) : -3.46
Solubility : 0.0881 mg/ml ; 0.000346 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 0.0
Synthetic accessibility : 2.29

Safety of [ 7524-52-9 ]

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

Application In Synthesis of [ 7524-52-9 ]

* 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 [ 7524-52-9 ]

[ 7524-52-9 ] Synthesis Path-Downstream   1~7

  • 1
  • [ 7524-52-9 ]
  • [ 1204-06-4 ]
  • 3-indole-acryltryptophan methyl ester [ No CAS ]
  • 2
  • [ 7524-52-9 ]
  • [ 33300-72-0 ]
  • [ 940603-04-3 ]
  • 3
  • [ 7524-52-9 ]
  • [ 38136-70-8 ]
  • 4
  • [ 28785-06-0 ]
  • [ 7524-52-9 ]
  • [ 1417796-74-7 ]
  • [ 1417796-75-8 ]
  • 5
  • [ 5545-54-0 ]
  • [ 7524-52-9 ]
  • (S)-methyl 2-((S)-2-(((benzyloxy)carbonyl)amino)-3-(4-(tertbutoxy)phenyl)propanamido)-3-(1H-indol-3-yl)propanoate [ No CAS ]
  • 6
  • [ 54439-75-7 ]
  • [ 7524-52-9 ]
  • C20H19ClN2O3 [ No CAS ]
  • 7
  • [ 96-81-1 ]
  • [ 7524-52-9 ]
  • methyl acetyl-L-valyl-L-tryptophanate [ No CAS ]
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