Benzophenone-4-carboxamidoethyl Methanethiosulfonate
TL;DR: Benzophenone-4-carboxamidoethyl Methanethiosulfonate (CAS 887352-65-0) is a chemical compound with molecular formula C17H17NO4S2 and molecular weight 363.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-benzoyl-N-(2-methylsulfonylsulfanylethyl)benzamide
Also Known As: Benzophenone-4-carboxamidoethyl Methanethiosulfonate, 4-benzoyl-N-(2-methylsulfonylsulfanylethyl)benzamide, S-[2-(4-Benzoylbenzamido)ethyl] methanesulfonothioate
| Molecular Formula | C17H17NO4S2 |
|---|---|
| Molecular Weight | 363.06 g/mol |
| LogP | 2.3402 |
| Topological Polar Surface Area | 80.31 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 363.0599 |
| Heavy Atoms | 24 |
| Complexity | 815.4289 |
Chemical Identifiers
| CAS Number | 887352-65-0 |
|---|---|
| SMILES | CS(=O)(=O)SCCNC(=O)C1=CC=C(C=C1)C(=O)C2=CC=CC=C2 |
Product Overview
Benzophenone-4-carboxamidoethyl Methanethiosulfonate (CAS 887352-65-0), with molecular formula C17H17NO4S2 and molecular weight 363.06 g/mol. IUPAC: 4-benzoyl-N-(2-methylsulfonylsulfanylethyl)benzamide.
Chemical Property Profile of Benzophenone-4-carboxamidoethyl Methanethiosulfonate
Property Insights of Benzophenone-4-carboxamidoethyl Methanethiosulfonate
The XLogP value of 2.3402 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzophenone-4-carboxamidoethyl Methanethiosulfonate. The TPSA of 80.31 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzophenone-4-carboxamidoethyl Methanethiosulfonate. Following Lipinski's Rule of Five, Benzophenone-4-carboxamidoethyl Methanethiosulfonate has 1 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 Benzophenone-4-carboxamidoethyl Methanethiosulfonate?
The CAS number of Benzophenone-4-carboxamidoethyl Methanethiosulfonate is 887352-65-0.
What is the molecular formula of Benzophenone-4-carboxamidoethyl Methanethiosulfonate?
The molecular formula of Benzophenone-4-carboxamidoethyl Methanethiosulfonate is C17H17NO4S2.
What is the molecular weight of Benzophenone-4-carboxamidoethyl Methanethiosulfonate?
The molecular weight of Benzophenone-4-carboxamidoethyl Methanethiosulfonate is 363.06 g/mol.
Where can I buy Benzophenone-4-carboxamidoethyl Methanethiosulfonate?
You can request a quote for Benzophenone-4-carboxamidoethyl Methanethiosulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzophenone-4-carboxamidoethyl Methanethiosulfonate?
Yes, KEHONG BIO provides custom synthesis services for Benzophenone-4-carboxamidoethyl Methanethiosulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.