![Ethyl 3-[(4-methylbenzene)sulfonamido]propanoate structure](/static/products/7661/76616-47-2.webp)
Ethyl 3-[(4-methylbenzene)sulfonamido]propanoate
TL;DR: Ethyl 3-[(4-methylbenzene)sulfonamido]propanoate (CAS 76616-47-2) is a chemical compound with molecular formula C12H17NO4S and molecular weight 271.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-[(4-methylphenyl)sulfonylamino]propanoate
Also Known As: Ethyl 3-[(4-methylbenzene)sulfonamido]propanoate, ethyl 3-(p-tolylsulfonylamino)propanoate, ethyl 3-(4-methylbenzenesulfonamido)propanoate, Ethyl 3-[(4-methylphenyl)sulfonylamino]propanoate, J2.165.071D
| Molecular Formula | C12H17NO4S |
|---|---|
| Molecular Weight | 271.09 g/mol |
| LogP | 1.22652 |
| Topological Polar Surface Area | 72.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 271.08783 |
| Heavy Atoms | 18 |
| Complexity | 493.31363 |
Chemical Identifiers
| CAS Number | 76616-47-2 |
|---|---|
| SMILES | CCOC(=O)CCNS(=O)(=O)C1=CC=C(C=C1)C |
Product Overview
Ethyl 3-[(4-methylbenzene)sulfonamido]propanoate (CAS 76616-47-2), with molecular formula C12H17NO4S and molecular weight 271.09 g/mol. IUPAC: ethyl 3-[(4-methylphenyl)sulfonylamino]propanoate.
Chemical Property Profile of Ethyl 3-[(4-methylbenzene)sulfonamido]propanoate
Property Insights of Ethyl 3-[(4-methylbenzene)sulfonamido]propanoate
The XLogP value of 1.22652 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3-[(4-methylbenzene)sulfonamido]propanoate. The TPSA of 72.47 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 3-[(4-methylbenzene)sulfonamido]propanoate. Following Lipinski's Rule of Five, Ethyl 3-[(4-methylbenzene)sulfonamido]propanoate has 1 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 Ethyl 3-[(4-methylbenzene)sulfonamido]propanoate?
The CAS number of Ethyl 3-[(4-methylbenzene)sulfonamido]propanoate is 76616-47-2.
What is the molecular formula of Ethyl 3-[(4-methylbenzene)sulfonamido]propanoate?
The molecular formula of Ethyl 3-[(4-methylbenzene)sulfonamido]propanoate is C12H17NO4S.
What is the molecular weight of Ethyl 3-[(4-methylbenzene)sulfonamido]propanoate?
The molecular weight of Ethyl 3-[(4-methylbenzene)sulfonamido]propanoate is 271.09 g/mol.
Where can I buy Ethyl 3-[(4-methylbenzene)sulfonamido]propanoate?
You can request a quote for Ethyl 3-[(4-methylbenzene)sulfonamido]propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3-[(4-methylbenzene)sulfonamido]propanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-[(4-methylbenzene)sulfonamido]propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.