Methyl 3-(4-Methyl-N-phenylphenylsulfonamido)propanoate
TL;DR: Methyl 3-(4-Methyl-N-phenylphenylsulfonamido)propanoate (CAS 17326-12-4) 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.
methyl 3-(N-(4-methylphenyl)sulfonylanilino)propanoate
Also Known As: Methyl 3-(4-Methyl-N-phenylphenylsulfonamido)propanoate, methyl 3-(N-(4-methylphenyl)sulfonylanilino)propanoate, methyl n-[(4-methylphenyl)sulfonyl]-n-phenyl-, A-alaninate, Methyl N-(4-methylbenzene-1-sulfonyl)-N-phenyl-beta-alaninate
| Molecular Formula | C17H19NO4S |
|---|---|
| Molecular Weight | 333.10 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 72.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 333.1035 |
| Heavy Atoms | 23 |
| Complexity | 471.0 |
Chemical Identifiers
| CAS Number | 17326-12-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)N(CCC(=O)OC)C2=CC=CC=C2 |
| InChIKey | PEYDYQUYJVXTOX-UHFFFAOYSA-N |
Product Overview
Methyl 3-(4-Methyl-N-phenylphenylsulfonamido)propanoate (CAS 17326-12-4), with molecular formula C17H19NO4S and molecular weight 333.10 g/mol. IUPAC: methyl 3-(N-(4-methylphenyl)sulfonylanilino)propanoate.
Chemical Property Profile of Methyl 3-(4-Methyl-N-phenylphenylsulfonamido)propanoate
Property Insights of Methyl 3-(4-Methyl-N-phenylphenylsulfonamido)propanoate
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-(4-Methyl-N-phenylphenylsulfonamido)propanoate. The TPSA of 72.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 3-(4-Methyl-N-phenylphenylsulfonamido)propanoate. Following Lipinski's Rule of Five, Methyl 3-(4-Methyl-N-phenylphenylsulfonamido)propanoate has 0 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-Methyl-N-phenylphenylsulfonamido)propanoate?
The CAS number of Methyl 3-(4-Methyl-N-phenylphenylsulfonamido)propanoate is 17326-12-4.
What is the molecular formula of Methyl 3-(4-Methyl-N-phenylphenylsulfonamido)propanoate?
The molecular formula of Methyl 3-(4-Methyl-N-phenylphenylsulfonamido)propanoate is C17H19NO4S.
What is the molecular weight of Methyl 3-(4-Methyl-N-phenylphenylsulfonamido)propanoate?
The molecular weight of Methyl 3-(4-Methyl-N-phenylphenylsulfonamido)propanoate is 333.10 g/mol.
Where can I buy Methyl 3-(4-Methyl-N-phenylphenylsulfonamido)propanoate?
You can request a quote for Methyl 3-(4-Methyl-N-phenylphenylsulfonamido)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-Methyl-N-phenylphenylsulfonamido)propanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-(4-Methyl-N-phenylphenylsulfonamido)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.