![Benzoic acid, 2-[(isocyanatosulfonyl)methyl]-, methyl ester structure](/static/products/8305/83056-32-0.webp)
Benzoic acid, 2-[(isocyanatosulfonyl)methyl]-, methyl ester
TL;DR: Benzoic acid, 2-[(isocyanatosulfonyl)methyl]-, methyl ester (CAS 83056-32-0) is a chemical compound with molecular formula C10H9NO5S and molecular weight 255.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(isocyanatosulfonylmethyl)benzoate
Also Known As: methyl 2-(isocyanatosulfonylmethyl)benzoate, Benzoic acid, 2-[(isocyanatosulfonyl)methyl]-, methyl ester, EC 410-900-9, 2-(Isocyanatosulfonylmethyl)benzoic acid methyl ester, Benzoic acid, 2-((isocyanatosulfonyl)methyl)-, methyl ester
| Molecular Formula | C10H9NO5S |
|---|---|
| Molecular Weight | 255.02 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 98.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 255.02014 |
| Heavy Atoms | 17 |
| Complexity | 418.0 |
Chemical Identifiers
| CAS Number | 83056-32-0 |
|---|---|
| SMILES | COC(=O)C1=CC=CC=C1CS(=O)(=O)N=C=O |
| InChIKey | HPFGDWSUQHUCBU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzoic acid, 2-[(isocyanatosulfonyl)methyl]-, methyl ester (CAS 83056-32-0), with molecular formula C10H9NO5S and molecular weight 255.02 g/mol. IUPAC: methyl 2-(isocyanatosulfonylmethyl)benzoate.
Chemical Property Profile of Benzoic acid, 2-[(isocyanatosulfonyl)methyl]-, methyl ester
Property Insights of Benzoic acid, 2-[(isocyanatosulfonyl)methyl]-, methyl ester
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoic acid, 2-[(isocyanatosulfonyl)methyl]-, methyl ester. The TPSA of 98.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid, 2-[(isocyanatosulfonyl)methyl]-, methyl ester. Following Lipinski's Rule of Five, Benzoic acid, 2-[(isocyanatosulfonyl)methyl]-, methyl ester has 0 hydrogen bond donor(s) and 6 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 Benzoic acid, 2-[(isocyanatosulfonyl)methyl]-, methyl ester?
The CAS number of Benzoic acid, 2-[(isocyanatosulfonyl)methyl]-, methyl ester is 83056-32-0.
What is the molecular formula of Benzoic acid, 2-[(isocyanatosulfonyl)methyl]-, methyl ester?
The molecular formula of Benzoic acid, 2-[(isocyanatosulfonyl)methyl]-, methyl ester is C10H9NO5S.
What is the molecular weight of Benzoic acid, 2-[(isocyanatosulfonyl)methyl]-, methyl ester?
The molecular weight of Benzoic acid, 2-[(isocyanatosulfonyl)methyl]-, methyl ester is 255.02 g/mol.
Where can I buy Benzoic acid, 2-[(isocyanatosulfonyl)methyl]-, methyl ester?
You can request a quote for Benzoic acid, 2-[(isocyanatosulfonyl)methyl]-, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, 2-[(isocyanatosulfonyl)methyl]-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 2-[(isocyanatosulfonyl)methyl]-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.