![4-(1-Methylethoxy)-beta-[(phenylsulfonyl)amino]benzenepropanoic acid structure](/static/products/6827/682760-60-7.webp)
4-(1-Methylethoxy)-beta-[(phenylsulfonyl)amino]benzenepropanoic acid
TL;DR: 4-(1-Methylethoxy)-beta-[(phenylsulfonyl)amino]benzenepropanoic acid (CAS 682760-60-7) is a chemical compound with molecular formula C18H21NO5S and molecular weight 363.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(benzenesulfonamido)-3-(4-propan-2-yloxyphenyl)propanoic acid
Also Known As: A2995/0126228, 3-[(phenylsulfonyl)amino]-3-[4-(propan-2-yloxy)phenyl]propanoic acid, 3-(benzenesulfonamido)-3-(4-propan-2-yloxyphenyl)propanoic acid, 4-(1-Methylethoxy)-beta-((phenylsulfonyl)amino)benzenepropanoic acid, 4-(1-Methylethoxy)-beta-[(phenylsulfonyl)amino]benzenepropanoic acid
| Molecular Formula | C18H21NO5S |
|---|---|
| Molecular Weight | 363.11 g/mol |
| LogP | 2.9681 |
| Topological Polar Surface Area | 92.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 363.11404 |
| Heavy Atoms | 25 |
| Complexity | 801.1199 |
Chemical Identifiers
| CAS Number | 682760-60-7 |
|---|---|
| SMILES | CC(C)OC1=CC=C(C=C1)C(CC(=O)O)NS(=O)(=O)C2=CC=CC=C2 |
Product Overview
4-(1-Methylethoxy)-beta-[(phenylsulfonyl)amino]benzenepropanoic acid (CAS 682760-60-7), with molecular formula C18H21NO5S and molecular weight 363.11 g/mol. IUPAC: 3-(benzenesulfonamido)-3-(4-propan-2-yloxyphenyl)propanoic acid.
Chemical Property Profile of 4-(1-Methylethoxy)-beta-[(phenylsulfonyl)amino]benzenepropanoic acid
Property Insights of 4-(1-Methylethoxy)-beta-[(phenylsulfonyl)amino]benzenepropanoic acid
The XLogP value of 2.9681 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(1-Methylethoxy)-beta-[(phenylsulfonyl)amino]benzenepropanoic acid. The TPSA of 92.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(1-Methylethoxy)-beta-[(phenylsulfonyl)amino]benzenepropanoic acid. Following Lipinski's Rule of Five, 4-(1-Methylethoxy)-beta-[(phenylsulfonyl)amino]benzenepropanoic acid has 2 hydrogen bond donor(s) and 4 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 4-(1-Methylethoxy)-beta-[(phenylsulfonyl)amino]benzenepropanoic acid?
The CAS number of 4-(1-Methylethoxy)-beta-[(phenylsulfonyl)amino]benzenepropanoic acid is 682760-60-7.
What is the molecular formula of 4-(1-Methylethoxy)-beta-[(phenylsulfonyl)amino]benzenepropanoic acid?
The molecular formula of 4-(1-Methylethoxy)-beta-[(phenylsulfonyl)amino]benzenepropanoic acid is C18H21NO5S.
What is the molecular weight of 4-(1-Methylethoxy)-beta-[(phenylsulfonyl)amino]benzenepropanoic acid?
The molecular weight of 4-(1-Methylethoxy)-beta-[(phenylsulfonyl)amino]benzenepropanoic acid is 363.11 g/mol.
Where can I buy 4-(1-Methylethoxy)-beta-[(phenylsulfonyl)amino]benzenepropanoic acid?
You can request a quote for 4-(1-Methylethoxy)-beta-[(phenylsulfonyl)amino]benzenepropanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(1-Methylethoxy)-beta-[(phenylsulfonyl)amino]benzenepropanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(1-Methylethoxy)-beta-[(phenylsulfonyl)amino]benzenepropanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.