Ethanethioic acid, ((4-methoxyphenyl)amino)-, S-1H-benzimidazol-2-yl ester
TL;DR: Ethanethioic acid, ((4-methoxyphenyl)amino)-, S-1H-benzimidazol-2-yl ester (CAS 83408-83-7) is a chemical compound with molecular formula C16H15N3O2S and molecular weight 313.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-(1H-benzimidazol-2-yl) 2-(4-methoxyanilino)ethanethioate
Also Known As: Ethanethioic acid, ((4-methoxyphenyl)amino)-, S-1H-benzimidazol-2-yl ester, ((4-Methoxyphenyl)amino)ethanethioic acid S-1H-benzimidazol-2-yl ester, S-(1H-1,3-Benzimidazol-2-yl) (4-methoxyanilino)ethanethioate, S-(1H-benzimidazol-2-yl) 2-(4-methoxyanilino)ethanethioate, BRN 4531007
| Molecular Formula | C16H15N3O2S |
|---|---|
| Molecular Weight | 313.09 g/mol |
| LogP | 3.3023 |
| Topological Polar Surface Area | 67.01 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 313.0885 |
| Heavy Atoms | 22 |
| Complexity | 750.44507 |
Chemical Identifiers
| CAS Number | 83408-83-7 |
|---|---|
| SMILES | COC1=CC=C(C=C1)NCC(=O)SC2=NC3=CC=CC=C3N2 |
Product Overview
Ethanethioic acid, ((4-methoxyphenyl)amino)-, S-1H-benzimidazol-2-yl ester (CAS 83408-83-7), with molecular formula C16H15N3O2S and molecular weight 313.09 g/mol. IUPAC: S-(1H-benzimidazol-2-yl) 2-(4-methoxyanilino)ethanethioate.
Chemical Property Profile of Ethanethioic acid, ((4-methoxyphenyl)amino)-, S-1H-benzimidazol-2-yl ester
Property Insights of Ethanethioic acid, ((4-methoxyphenyl)amino)-, S-1H-benzimidazol-2-yl ester
The XLogP value of 3.3023 indicates that Ethanethioic acid, ((4-methoxyphenyl)amino)-, S-1H-benzimidazol-2-yl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.01 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethanethioic acid, ((4-methoxyphenyl)amino)-, S-1H-benzimidazol-2-yl ester. Following Lipinski's Rule of Five, Ethanethioic acid, ((4-methoxyphenyl)amino)-, S-1H-benzimidazol-2-yl ester has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Ethanethioic acid, ((4-methoxyphenyl)amino)-, S-1H-benzimidazol-2-yl ester?
The CAS number of Ethanethioic acid, ((4-methoxyphenyl)amino)-, S-1H-benzimidazol-2-yl ester is 83408-83-7.
What is the molecular formula of Ethanethioic acid, ((4-methoxyphenyl)amino)-, S-1H-benzimidazol-2-yl ester?
The molecular formula of Ethanethioic acid, ((4-methoxyphenyl)amino)-, S-1H-benzimidazol-2-yl ester is C16H15N3O2S.
What is the molecular weight of Ethanethioic acid, ((4-methoxyphenyl)amino)-, S-1H-benzimidazol-2-yl ester?
The molecular weight of Ethanethioic acid, ((4-methoxyphenyl)amino)-, S-1H-benzimidazol-2-yl ester is 313.09 g/mol.
Where can I buy Ethanethioic acid, ((4-methoxyphenyl)amino)-, S-1H-benzimidazol-2-yl ester?
You can request a quote for Ethanethioic acid, ((4-methoxyphenyl)amino)-, S-1H-benzimidazol-2-yl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethanethioic acid, ((4-methoxyphenyl)amino)-, S-1H-benzimidazol-2-yl ester?
Yes, KEHONG BIO provides custom synthesis services for Ethanethioic acid, ((4-methoxyphenyl)amino)-, S-1H-benzimidazol-2-yl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.