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CAS 141109-18-4 (+)METHYL ALPHA-(2-THIENYLETHYLAMINO)(2-CHLOROPHENYL)ACETATE HCL molecular structure lightbox
CAS RN: 141109-18-4

(+)METHYL ALPHA-(2-THIENYLETHYLAMINO)(2-CHLOROPHENYL)ACETATE HCL

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250502 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS141109-18-4
  • Purity/Analytical Methods: >99.0%
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141109-18-4 / methyl 2-(2-chlorophenyl)-2-(2-thiophen-2-ylethylamino)acetate;hydrochloride

Standard CAS: 141109-18-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
141109-18-4
Multi CAS
No
Molecular Formula
C15H17Cl2NO2S
Molecular Weight
346.300000
Exact Mass
345.035705
SMILES
COC(=O)C(C1=CC=CC=C1Cl)NCCC2=CC=CS2.Cl
InChI
InChI=1S/C15H16ClNO2S.ClH/c1-19-15(18)14(12-6-2-3-7-13(12)16)17-9-8-11-5-4-10-20-11;/h2-7,10,14,17H,8-9H2,1H3;1H
InChIKey
ZXANKCFSGFEBQW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
11
Fraction Csp3
0.27
Rotatable bonds
6
H-bond acceptors
4
H-bond donors
1
Molar refractivity
89.48
TPSA
38.33

LogP / Solubility

WLOGP
3.87
MLOGP
3.42
XLogP3
3.87
Consensus LogP
3.72
Log S (ESOL)
-4.42
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.19
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.84
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.08

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3

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