Ethyl 2-methanesulfonamidobenzoate
TL;DR: Ethyl 2-methanesulfonamidobenzoate (CAS 91013-48-8) is a chemical compound with molecular formula C10H13NO4S and molecular weight 243.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(methanesulfonamido)benzoate
Also Known As: ChemDiv3_000875, ethyl 2-methanesulfonamidobenzoate, ethyl 2-[(methylsulfonyl)amino]benzoate, ethyl 2-(methanesulfonamido)benzoate, IDI1_019841
| Molecular Formula | C10H13NO4S |
|---|---|
| Molecular Weight | 243.06 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 80.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 243.05653 |
| Heavy Atoms | 16 |
| Complexity | 333.0 |
Chemical Identifiers
| CAS Number | 91013-48-8 |
|---|---|
| SMILES | CCOC(=O)C1=CC=CC=C1NS(=O)(=O)C |
| InChIKey | ILQPXAAMGKTIPN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 2-methanesulfonamidobenzoate (CAS 91013-48-8), with molecular formula C10H13NO4S and molecular weight 243.06 g/mol. IUPAC: ethyl 2-(methanesulfonamido)benzoate.
Chemical Property Profile of Ethyl 2-methanesulfonamidobenzoate
Property Insights of Ethyl 2-methanesulfonamidobenzoate
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-methanesulfonamidobenzoate. The TPSA of 80.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-methanesulfonamidobenzoate. Following Lipinski's Rule of Five, Ethyl 2-methanesulfonamidobenzoate 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 Ethyl 2-methanesulfonamidobenzoate?
The CAS number of Ethyl 2-methanesulfonamidobenzoate is 91013-48-8.
What is the molecular formula of Ethyl 2-methanesulfonamidobenzoate?
The molecular formula of Ethyl 2-methanesulfonamidobenzoate is C10H13NO4S.
What is the molecular weight of Ethyl 2-methanesulfonamidobenzoate?
The molecular weight of Ethyl 2-methanesulfonamidobenzoate is 243.06 g/mol.
Where can I buy Ethyl 2-methanesulfonamidobenzoate?
You can request a quote for Ethyl 2-methanesulfonamidobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-methanesulfonamidobenzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-methanesulfonamidobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.