Methyl 3-(4-methylbenzenesulfonamido)propanoate
TL;DR: Methyl 3-(4-methylbenzenesulfonamido)propanoate (CAS 62456-75-1) is a chemical compound with molecular formula C11H15NO4S and molecular weight 257.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-[(4-methylphenyl)sulfonylamino]propanoate
Also Known As: methyl 3-(4-methylbenzenesulfonamido)propanoate, NCIOpen2_007198, N-Tosyl-beta-alanine methyl ester, methyl 3-[(4-methylphenyl)sulfonylamino]propanoate, 3-(Tosylamino)propanoic acid methyl ester
| Molecular Formula | C11H15NO4S |
|---|---|
| Molecular Weight | 257.07 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 80.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 257.07217 |
| Heavy Atoms | 17 |
| Complexity | 339.0 |
Chemical Identifiers
| CAS Number | 62456-75-1 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)OC |
| InChIKey | GUQCJKGSHIOXFA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 3-(4-methylbenzenesulfonamido)propanoate (CAS 62456-75-1), with molecular formula C11H15NO4S and molecular weight 257.07 g/mol. IUPAC: methyl 3-[(4-methylphenyl)sulfonylamino]propanoate.
Chemical Property Profile of Methyl 3-(4-methylbenzenesulfonamido)propanoate
Property Insights of Methyl 3-(4-methylbenzenesulfonamido)propanoate
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-(4-methylbenzenesulfonamido)propanoate. The TPSA of 80.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 3-(4-methylbenzenesulfonamido)propanoate. Following Lipinski's Rule of Five, Methyl 3-(4-methylbenzenesulfonamido)propanoate 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 Methyl 3-(4-methylbenzenesulfonamido)propanoate?
The CAS number of Methyl 3-(4-methylbenzenesulfonamido)propanoate is 62456-75-1.
What is the molecular formula of Methyl 3-(4-methylbenzenesulfonamido)propanoate?
The molecular formula of Methyl 3-(4-methylbenzenesulfonamido)propanoate is C11H15NO4S.
What is the molecular weight of Methyl 3-(4-methylbenzenesulfonamido)propanoate?
The molecular weight of Methyl 3-(4-methylbenzenesulfonamido)propanoate is 257.07 g/mol.
Where can I buy Methyl 3-(4-methylbenzenesulfonamido)propanoate?
You can request a quote for Methyl 3-(4-methylbenzenesulfonamido)propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-(4-methylbenzenesulfonamido)propanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-(4-methylbenzenesulfonamido)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.