3-(Benzylamino)-5-methylsulfonyl-4-phenoxybenzoic acid
TL;DR: 3-(Benzylamino)-5-methylsulfonyl-4-phenoxybenzoic acid (CAS 32548-17-7) is a chemical compound with molecular formula C21H19NO5S and molecular weight 397.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(benzylamino)-5-methylsulfonyl-4-phenoxybenzoic acid
Also Known As: 3-(benzylamino)-5-methylsulfonyl-4-phenoxybenzoic acid, 3-(benzylamino)-5-methylsulfonyl-4-phenoxy-benzoic acid, 3-(Benzylamino)-5-(methanesulfonyl)-4-phenoxybenzoic acid
| Molecular Formula | C21H19NO5S |
|---|---|
| Molecular Weight | 397.10 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 397.0984 |
| Heavy Atoms | 28 |
| Complexity | 605.0 |
Chemical Identifiers
| CAS Number | 32548-17-7 |
|---|---|
| SMILES | CS(=O)(=O)C1=CC(=CC(=C1OC2=CC=CC=C2)NCC3=CC=CC=C3)C(=O)O |
| InChIKey | ZYFXGWRDLQHTJT-UHFFFAOYSA-N |
Product Overview
3-(Benzylamino)-5-methylsulfonyl-4-phenoxybenzoic acid (CAS 32548-17-7), with molecular formula C21H19NO5S and molecular weight 397.10 g/mol. IUPAC: 3-(benzylamino)-5-methylsulfonyl-4-phenoxybenzoic acid.
Chemical Property Profile of 3-(Benzylamino)-5-methylsulfonyl-4-phenoxybenzoic acid
Property Insights of 3-(Benzylamino)-5-methylsulfonyl-4-phenoxybenzoic acid
The XLogP value of 3.7 indicates that 3-(Benzylamino)-5-methylsulfonyl-4-phenoxybenzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(Benzylamino)-5-methylsulfonyl-4-phenoxybenzoic acid. Following Lipinski's Rule of Five, 3-(Benzylamino)-5-methylsulfonyl-4-phenoxybenzoic acid has 2 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 3-(Benzylamino)-5-methylsulfonyl-4-phenoxybenzoic acid?
The CAS number of 3-(Benzylamino)-5-methylsulfonyl-4-phenoxybenzoic acid is 32548-17-7.
What is the molecular formula of 3-(Benzylamino)-5-methylsulfonyl-4-phenoxybenzoic acid?
The molecular formula of 3-(Benzylamino)-5-methylsulfonyl-4-phenoxybenzoic acid is C21H19NO5S.
What is the molecular weight of 3-(Benzylamino)-5-methylsulfonyl-4-phenoxybenzoic acid?
The molecular weight of 3-(Benzylamino)-5-methylsulfonyl-4-phenoxybenzoic acid is 397.10 g/mol.
Where can I buy 3-(Benzylamino)-5-methylsulfonyl-4-phenoxybenzoic acid?
You can request a quote for 3-(Benzylamino)-5-methylsulfonyl-4-phenoxybenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Benzylamino)-5-methylsulfonyl-4-phenoxybenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(Benzylamino)-5-methylsulfonyl-4-phenoxybenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.