[email protected]
CAS 1081766-09-7 S-4-Chlorophenylglycine methyl ester hydrochloride molecular structure lightbox
CAS RN: 1081766-09-7

S-4-Chlorophenylglycine methyl ester hydrochloride

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250103 50mg / 250mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1081766-09-7
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

1081766-09-7 / methyl (2S)-2-amino-2-(4-chlorophenyl)acetate;hydrochloride

methyl 2-amino-2-(4-chlorophenyl)acetate hydrochloride | RefChem:813865 | 869-440-6

Standard CAS: 1081766-09-7 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1081766-09-7
Multi CAS
Yes
Molecular Formula
C9H11Cl2NO2
Molecular Weight
236.090000
Exact Mass
235.016684
SMILES
COC(=O)[C@H](C1=CC=C(C=C1)Cl)N.Cl
InChI
InChI=1S/C9H10ClNO2.ClH/c1-13-9(12)8(11)6-2-4-7(10)5-3-6;/h2-5,8H,11H2,1H3;1H/t8-;/m0./s1
InChIKey
SLFXIBKUZFTNJA-QRPNPIFTSA-N
Synonyms
methyl 2-amino-2-(4-chlorophenyl)acetate hydrochloride RefChem:813865 869-440-6 MFCD00196831 1-(4-Chlorophenyl)-2-methoxy-2-oxo-1-ethanaminium chloride

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
57.64
TPSA
52.32

LogP / Solubility

WLOGP
1.93
MLOGP
1.71
XLogP3
1.93
Consensus LogP
1.86
Log S (ESOL)
-2.71
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.89
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.04
Class (SILICOS-IT)
Poorly soluble

ADME

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)
-2.79

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Customers Also Viewed

Get In Touch

Contact Us