![3-(4-Isopropylphenyl)-3-[(phenylsulfonyl)amino]propanoic acid structure](/static/products/861/861207-56-9.png)
3-(4-Isopropylphenyl)-3-[(phenylsulfonyl)amino]propanoic acid
TL;DR: 3-(4-Isopropylphenyl)-3-[(phenylsulfonyl)amino]propanoic acid (CAS 861207-56-9) is a chemical compound with molecular formula C18H21NO4S and molecular weight 347.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(benzenesulfonamido)-3-(4-propan-2-ylphenyl)propanoic acid
Also Known As: 3-(4-isopropylphenyl)-3-[(phenylsulfonyl)amino]propanoic acid, 3-(benzenesulfonamido)-3-(4-propan-2-ylphenyl)propanoic Acid, 3-benzenesulfonamido-3-[4-(propan-2-yl)phenyl]propanoic acid, 1X-0826, 3-(benzenesulfonamido)-3-(4-isopropylphenyl)propanoic acid
| Molecular Formula | C18H21NO4S |
|---|---|
| Molecular Weight | 347.12 g/mol |
| LogP | 3.3043 |
| Topological Polar Surface Area | 83.47 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 347.11914 |
| Heavy Atoms | 24 |
| Complexity | 783.5283 |
Chemical Identifiers
| CAS Number | 861207-56-9 |
|---|---|
| SMILES | CC(C)C1=CC=C(C=C1)C(CC(=O)O)NS(=O)(=O)C2=CC=CC=C2 |
Product Overview
3-(4-Isopropylphenyl)-3-[(phenylsulfonyl)amino]propanoic acid (CAS 861207-56-9), with molecular formula C18H21NO4S and molecular weight 347.12 g/mol. IUPAC: 3-(benzenesulfonamido)-3-(4-propan-2-ylphenyl)propanoic acid.
Chemical Property Profile of 3-(4-Isopropylphenyl)-3-[(phenylsulfonyl)amino]propanoic acid
Property Insights of 3-(4-Isopropylphenyl)-3-[(phenylsulfonyl)amino]propanoic acid
The XLogP value of 3.3043 indicates that 3-(4-Isopropylphenyl)-3-[(phenylsulfonyl)amino]propanoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.47 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-Isopropylphenyl)-3-[(phenylsulfonyl)amino]propanoic acid. Following Lipinski's Rule of Five, 3-(4-Isopropylphenyl)-3-[(phenylsulfonyl)amino]propanoic acid has 2 hydrogen bond donor(s) and 3 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-(4-Isopropylphenyl)-3-[(phenylsulfonyl)amino]propanoic acid?
The CAS number of 3-(4-Isopropylphenyl)-3-[(phenylsulfonyl)amino]propanoic acid is 861207-56-9.
What is the molecular formula of 3-(4-Isopropylphenyl)-3-[(phenylsulfonyl)amino]propanoic acid?
The molecular formula of 3-(4-Isopropylphenyl)-3-[(phenylsulfonyl)amino]propanoic acid is C18H21NO4S.
What is the molecular weight of 3-(4-Isopropylphenyl)-3-[(phenylsulfonyl)amino]propanoic acid?
The molecular weight of 3-(4-Isopropylphenyl)-3-[(phenylsulfonyl)amino]propanoic acid is 347.12 g/mol.
Where can I buy 3-(4-Isopropylphenyl)-3-[(phenylsulfonyl)amino]propanoic acid?
You can request a quote for 3-(4-Isopropylphenyl)-3-[(phenylsulfonyl)amino]propanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-Isopropylphenyl)-3-[(phenylsulfonyl)amino]propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Isopropylphenyl)-3-[(phenylsulfonyl)amino]propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.