Benzoic acid, 2-(sulfinylamino)-, methyl ester
TL;DR: Benzoic acid, 2-(sulfinylamino)-, methyl ester (CAS 17419-96-4) is a chemical compound with molecular formula C8H7NO3S and molecular weight 197.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(sulfinylamino)benzoate
Also Known As: Methyl 2-(sulfinylamino)benzoate, Benzoic acid, 2-(sulfinylamino)-, methyl ester, Anthranilic acid, N-sulfinyl-, methyl ester, Methyl 2-(sulfinylamino)benzoate #, N-Sulfinylanthranilic acid methyl ester
| Molecular Formula | C8H7NO3S |
|---|---|
| Molecular Weight | 197.01 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 56.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 197.01466 |
| Heavy Atoms | 13 |
| Complexity | 238.0 |
Chemical Identifiers
| CAS Number | 17419-96-4 |
|---|---|
| SMILES | COC(=O)C1=CC=CC=C1N=S=O |
| InChIKey | FRUAENRTIXFVFR-UHFFFAOYSA-N |
Product Overview
Benzoic acid, 2-(sulfinylamino)-, methyl ester (CAS 17419-96-4), with molecular formula C8H7NO3S and molecular weight 197.01 g/mol. IUPAC: methyl 2-(sulfinylamino)benzoate.
Chemical Property Profile of Benzoic acid, 2-(sulfinylamino)-, methyl ester
Property Insights of Benzoic acid, 2-(sulfinylamino)-, methyl ester
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoic acid, 2-(sulfinylamino)-, methyl ester. With a topological polar surface area (TPSA) of 56.7 Ų, Benzoic acid, 2-(sulfinylamino)-, methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoic acid, 2-(sulfinylamino)-, methyl ester has 0 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 Benzoic acid, 2-(sulfinylamino)-, methyl ester?
The CAS number of Benzoic acid, 2-(sulfinylamino)-, methyl ester is 17419-96-4.
What is the molecular formula of Benzoic acid, 2-(sulfinylamino)-, methyl ester?
The molecular formula of Benzoic acid, 2-(sulfinylamino)-, methyl ester is C8H7NO3S.
What is the molecular weight of Benzoic acid, 2-(sulfinylamino)-, methyl ester?
The molecular weight of Benzoic acid, 2-(sulfinylamino)-, methyl ester is 197.01 g/mol.
Where can I buy Benzoic acid, 2-(sulfinylamino)-, methyl ester?
You can request a quote for Benzoic acid, 2-(sulfinylamino)-, 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-(sulfinylamino)-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 2-(sulfinylamino)-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.