4-Ethoxy-2-mercaptobenzamide
TL;DR: 4-Ethoxy-2-mercaptobenzamide (CAS 85169-21-7) is a chemical compound with molecular formula C9H11NO2S and molecular weight 197.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-ethoxy-2-sulfanylbenzamide
Also Known As: 4-Ethoxy-2-mercaptobenzamide, 4-ethoxy-2-sulfanylbenzamide, EINECS 285-963-7, 4-Aethoxy-2-mercapto-benzamid, 285-963-7
| Molecular Formula | C9H11NO2S |
|---|---|
| Molecular Weight | 197.05 g/mol |
| LogP | 1.4729 |
| Topological Polar Surface Area | 52.32 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 197.05106 |
| Heavy Atoms | 13 |
| Complexity | 325.39078 |
Chemical Identifiers
| CAS Number | 85169-21-7 |
|---|---|
| SMILES | CCOC1=CC(=C(C=C1)C(=O)N)S |
Product Overview
4-Ethoxy-2-mercaptobenzamide (CAS 85169-21-7), with molecular formula C9H11NO2S and molecular weight 197.05 g/mol. IUPAC: 4-ethoxy-2-sulfanylbenzamide.
Chemical Property Profile of 4-Ethoxy-2-mercaptobenzamide
Property Insights of 4-Ethoxy-2-mercaptobenzamide
The XLogP value of 1.4729 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Ethoxy-2-mercaptobenzamide. With a topological polar surface area (TPSA) of 52.32 Ų, 4-Ethoxy-2-mercaptobenzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Ethoxy-2-mercaptobenzamide has 2 hydrogen bond donor(s) and 3 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 4-Ethoxy-2-mercaptobenzamide?
The CAS number of 4-Ethoxy-2-mercaptobenzamide is 85169-21-7.
What is the molecular formula of 4-Ethoxy-2-mercaptobenzamide?
The molecular formula of 4-Ethoxy-2-mercaptobenzamide is C9H11NO2S.
What is the molecular weight of 4-Ethoxy-2-mercaptobenzamide?
The molecular weight of 4-Ethoxy-2-mercaptobenzamide is 197.05 g/mol.
Where can I buy 4-Ethoxy-2-mercaptobenzamide?
You can request a quote for 4-Ethoxy-2-mercaptobenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Ethoxy-2-mercaptobenzamide?
Yes, KEHONG BIO provides custom synthesis services for 4-Ethoxy-2-mercaptobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.