3-(N-benzyl4-methylbenzenesulfonamido)propanoic acid
TL;DR: 3-(N-benzyl4-methylbenzenesulfonamido)propanoic acid (CAS 101585-36-8) is a chemical compound with molecular formula C17H19NO4S and molecular weight 333.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[benzyl-(4-methylphenyl)sulfonylamino]propanoic acid
Also Known As: ChemDiv3_013029, BAS 00443060, N-benzyl-N-(toluene-4-sulfonyl)-, A-alanine, 3-(N-benzyl4-methylbenzenesulfonamido)propanoic acid
| Molecular Formula | C17H19NO4S |
|---|---|
| Molecular Weight | 333.10 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 83.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 333.1035 |
| Heavy Atoms | 23 |
| Complexity | 471.0 |
Chemical Identifiers
| CAS Number | 101585-36-8 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)N(CCC(=O)O)CC2=CC=CC=C2 |
| InChIKey | FNQFFQLKZFPDBL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(N-benzyl4-methylbenzenesulfonamido)propanoic acid (CAS 101585-36-8), with molecular formula C17H19NO4S and molecular weight 333.10 g/mol. IUPAC: 3-[benzyl-(4-methylphenyl)sulfonylamino]propanoic acid.
Chemical Property Profile of 3-(N-benzyl4-methylbenzenesulfonamido)propanoic acid
Property Insights of 3-(N-benzyl4-methylbenzenesulfonamido)propanoic acid
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(N-benzyl4-methylbenzenesulfonamido)propanoic acid. The TPSA of 83.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(N-benzyl4-methylbenzenesulfonamido)propanoic acid. Following Lipinski's Rule of Five, 3-(N-benzyl4-methylbenzenesulfonamido)propanoic acid 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 3-(N-benzyl4-methylbenzenesulfonamido)propanoic acid?
The CAS number of 3-(N-benzyl4-methylbenzenesulfonamido)propanoic acid is 101585-36-8.
What is the molecular formula of 3-(N-benzyl4-methylbenzenesulfonamido)propanoic acid?
The molecular formula of 3-(N-benzyl4-methylbenzenesulfonamido)propanoic acid is C17H19NO4S.
What is the molecular weight of 3-(N-benzyl4-methylbenzenesulfonamido)propanoic acid?
The molecular weight of 3-(N-benzyl4-methylbenzenesulfonamido)propanoic acid is 333.10 g/mol.
Where can I buy 3-(N-benzyl4-methylbenzenesulfonamido)propanoic acid?
You can request a quote for 3-(N-benzyl4-methylbenzenesulfonamido)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-(N-benzyl4-methylbenzenesulfonamido)propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(N-benzyl4-methylbenzenesulfonamido)propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.