Benzmetanide
TL;DR: Benzmetanide (CAS 34117-90-3) is a chemical compound with molecular formula C20H18N2O5S and molecular weight 398.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(benzylamino)-4-phenoxy-5-sulfamoylbenzoic acid
Also Known As: Benzmetanide, 3-(benzylamino)-4-phenoxy-5-sulfamoylbenzoic acid, 3-Benzylamino-4-phenoxy-5-sulfamoylbenzoic acid, 3-Benzylamino-4-phenoxy-5-sulphamyl-benzoic acid, Benzoic acid, 3-(aminosulfonyl)-4-phenoxy-5-((phenylmethyl)amino)-
| Molecular Formula | C20H18N2O5S |
|---|---|
| Molecular Weight | 398.09 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 127.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 398.09363 |
| Heavy Atoms | 28 |
| Complexity | 609.0 |
Chemical Identifiers
| CAS Number | 34117-90-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)CNC2=C(C(=CC(=C2)C(=O)O)S(=O)(=O)N)OC3=CC=CC=C3 |
| InChIKey | UCNWQTMKAPAUHU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzmetanide (CAS 34117-90-3), with molecular formula C20H18N2O5S and molecular weight 398.09 g/mol. IUPAC: 3-(benzylamino)-4-phenoxy-5-sulfamoylbenzoic acid.
Chemical Property Profile of Benzmetanide
Property Insights of Benzmetanide
The XLogP value of 3.0 indicates that Benzmetanide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 127.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzmetanide. Following Lipinski's Rule of Five, Benzmetanide has 3 hydrogen bond donor(s) and 7 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 Benzmetanide?
The CAS number of Benzmetanide is 34117-90-3.
What is the molecular formula of Benzmetanide?
The molecular formula of Benzmetanide is C20H18N2O5S.
What is the molecular weight of Benzmetanide?
The molecular weight of Benzmetanide is 398.09 g/mol.
Where can I buy Benzmetanide?
You can request a quote for Benzmetanide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzmetanide?
Yes, KEHONG BIO provides custom synthesis services for Benzmetanide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.