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[ CAS No. 14173-40-1 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
Chemical Structure| 14173-40-1
Chemical Structure| 14173-40-1
Structure of 14173-40-1 * Storage: {[proInfo.prStorage]}

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Quality Control of [ 14173-40-1 ]

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Product Details of [ 14173-40-1 ]

CAS No. :14173-40-1 MDL No. :MFCD00012530
Formula : C10H13Cl2NO2 Boiling Point : -
Linear Structure Formula :- InChI Key :GCBCWTWQAFLKJG-UHFFFAOYSA-N
M.W : 250.12 Pubchem ID :2733277
Synonyms :
Chemical Name :Methyl 2-amino-3-(4-chlorophenyl)propanoate hydrochloride

Calculated chemistry of [ 14173-40-1 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 15
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.3
Num. rotatable bonds : 4
Num. H-bond acceptors : 3.0
Num. H-bond donors : 1.0
Molar Refractivity : 61.8
TPSA : 52.32 ?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) : -6.36 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.0
Log Po/w (XLOGP3) : 2.07
Log Po/w (WLOGP) : 2.18
Log Po/w (MLOGP) : 2.25
Log Po/w (SILICOS-IT) : 2.02
Consensus Log Po/w : 1.7

Druglikeness

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

Water Solubility

Log S (ESOL) : -2.73
Solubility : 0.469 mg/ml ; 0.00188 mol/l
Class : Soluble
Log S (Ali) : -2.8
Solubility : 0.398 mg/ml ; 0.00159 mol/l
Class : Soluble
Log S (SILICOS-IT) : -3.19
Solubility : 0.161 mg/ml ; 0.000644 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 0.0
Synthetic accessibility : 1.91

Safety of [ 14173-40-1 ]

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

Application In Synthesis of [ 14173-40-1 ]

* 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 [ 14173-40-1 ]

[ 14173-40-1 ] Synthesis Path-Downstream   1~12

  • 1
  • [ 76098-31-2 ]
  • [ 14173-40-1 ]
  • [ 81143-32-0 ]
  • 3
  • [ 7536-55-2 ]
  • [ 14173-40-1 ]
  • [ 182249-60-1 ]
  • 4
  • [ 182249-59-8 ]
  • [ 14173-40-1 ]
  • 5
  • [ 14173-40-1 ]
  • [ 217326-48-2 ]
  • (S)-3-(4-Chloro-phenyl)-2-[(S)-1-(3,5-dichloro-benzenesulfonyl)-pyrrolidine-2-carbonyl]-amino}-propionic acid methyl ester [ No CAS ]
  • 6
  • [ 14173-40-1 ]
  • [ 225517-69-1 ]
  • (S)-3-(4-Chloro-phenyl)-2-[(S)-1-(3,5-dichloro-benzenesulfonyl)-2-methyl-pyrrolidine-2-carbonyl]-amino}-propionic acid methyl ester [ No CAS ]
  • 7
  • [ 14173-40-1 ]
  • [ 731798-31-5 ]
  • (S)-4-[(S)-2-(4-Chloro-phenyl)-1-methoxycarbonyl-ethylcarbamoyl]-4-(3,4,5-trimethoxy-benzoylamino)-butyric acid [ No CAS ]
  • 8
  • [ 14173-40-1 ]
  • (S)-3-(4-Chloro-phenyl)-2-[(S)-1-(3,5-dichloro-benzenesulfonyl)-pyrrolidine-2-carbonyl]-amino}-propionic acid [ No CAS ]
  • 9
  • [ 14173-40-1 ]
  • (S)-3-(4-Chloro-phenyl)-2-[(S)-1-(3,5-dichloro-benzenesulfonyl)-2-methyl-pyrrolidine-2-carbonyl]-amino}-propionic acid [ No CAS ]
  • 10
  • [ 14173-40-1 ]
  • [ 127559-24-4 ]
  • 11
  • [ 14173-40-1 ]
  • (S)-3-(3-{4-[(S)-2-((S)-2-Amino-3-carbamoyl-propionylamino)-2-methoxycarbonyl-ethyl]-phenoxy}-4-methoxy-phenyl)-2-benzyloxycarbonylamino-propionic acid [ No CAS ]
  • 12
  • [ 14173-40-1 ]
  • [ 182249-67-8 ]
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