o-Anisidyl-N-methanesulfonic acid
TL;DR: o-Anisidyl-N-methanesulfonic acid (CAS 93-13-0) is a chemical compound with molecular formula C8H11NO4S and molecular weight 217.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-methoxyanilino)methanesulfonic acid
Also Known As: o-Anisidinomethanesulfonic acid, O-Anisidyl-N-methanesulfonic acid, Methanesulfonic acid, o-anisidino-, N-Sulfomethyl-o-anisidin, (2-methoxyanilino)methanesulfonic acid
| Molecular Formula | C8H11NO4S |
|---|---|
| Molecular Weight | 217.04 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 84.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 217.04088 |
| Heavy Atoms | 14 |
| Complexity | 259.0 |
Chemical Identifiers
| CAS Number | 93-13-0 |
|---|---|
| SMILES | COC1=CC=CC=C1NCS(=O)(=O)O |
| InChIKey | WJORFFDFYBZRJH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
o-Anisidyl-N-methanesulfonic acid (CAS 93-13-0), with molecular formula C8H11NO4S and molecular weight 217.04 g/mol. IUPAC: (2-methoxyanilino)methanesulfonic acid.
Chemical Property Profile of o-Anisidyl-N-methanesulfonic acid
Property Insights of o-Anisidyl-N-methanesulfonic acid
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for o-Anisidyl-N-methanesulfonic acid. The TPSA of 84.0 Ų falls within the moderate polarity range, balancing permeability and solubility for o-Anisidyl-N-methanesulfonic acid. Following Lipinski's Rule of Five, o-Anisidyl-N-methanesulfonic acid 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 o-Anisidyl-N-methanesulfonic acid?
The CAS number of o-Anisidyl-N-methanesulfonic acid is 93-13-0.
What is the molecular formula of o-Anisidyl-N-methanesulfonic acid?
The molecular formula of o-Anisidyl-N-methanesulfonic acid is C8H11NO4S.
What is the molecular weight of o-Anisidyl-N-methanesulfonic acid?
The molecular weight of o-Anisidyl-N-methanesulfonic acid is 217.04 g/mol.
Where can I buy o-Anisidyl-N-methanesulfonic acid?
You can request a quote for o-Anisidyl-N-methanesulfonic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for o-Anisidyl-N-methanesulfonic acid?
Yes, KEHONG BIO provides custom synthesis services for o-Anisidyl-N-methanesulfonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.