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Ethyl 3-[(mesitylsulfonyl)amino]-3-(4-methylphenyl)propanoate
TL;DR: Ethyl 3-[(mesitylsulfonyl)amino]-3-(4-methylphenyl)propanoate (CAS 442658-76-6) is a chemical compound with molecular formula C21H27NO4S and molecular weight 389.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-(4-methylphenyl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanoate
Also Known As: Ethyl 3-[(mesitylsulfonyl)amino]-3-(4-methylphenyl)propanoate, A2793/0118031, Ethyl 3-[(mesitylsulfonyl)amino]-3-(4-methylphenyl)propanoate #, ethyl 3-(4-methylphenyl)-3-(2,4,6-trimethylbenzenesulfonamido)propanoate, 3-p-Tolyl-3-(2,4,6-trimethyl-benzenesulfonylamino)-propionic acid ethyl ester
| Molecular Formula | C21H27NO4S |
|---|---|
| Molecular Weight | 389.17 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 80.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 389.16608 |
| Heavy Atoms | 27 |
| Complexity | 565.0 |
Chemical Identifiers
| CAS Number | 442658-76-6 |
|---|---|
| SMILES | CCOC(=O)CC(C1=CC=C(C=C1)C)NS(=O)(=O)C2=C(C=C(C=C2C)C)C |
| InChIKey | NVJLKGKLZLJNLO-UHFFFAOYSA-N |
Product Overview
Ethyl 3-[(mesitylsulfonyl)amino]-3-(4-methylphenyl)propanoate (CAS 442658-76-6), with molecular formula C21H27NO4S and molecular weight 389.17 g/mol. IUPAC: ethyl 3-(4-methylphenyl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanoate.
Chemical Property Profile of Ethyl 3-[(mesitylsulfonyl)amino]-3-(4-methylphenyl)propanoate
Property Insights of Ethyl 3-[(mesitylsulfonyl)amino]-3-(4-methylphenyl)propanoate
The XLogP value of 4.1 indicates that Ethyl 3-[(mesitylsulfonyl)amino]-3-(4-methylphenyl)propanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 3-[(mesitylsulfonyl)amino]-3-(4-methylphenyl)propanoate. Following Lipinski's Rule of Five, Ethyl 3-[(mesitylsulfonyl)amino]-3-(4-methylphenyl)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 Ethyl 3-[(mesitylsulfonyl)amino]-3-(4-methylphenyl)propanoate?
The CAS number of Ethyl 3-[(mesitylsulfonyl)amino]-3-(4-methylphenyl)propanoate is 442658-76-6.
What is the molecular formula of Ethyl 3-[(mesitylsulfonyl)amino]-3-(4-methylphenyl)propanoate?
The molecular formula of Ethyl 3-[(mesitylsulfonyl)amino]-3-(4-methylphenyl)propanoate is C21H27NO4S.
What is the molecular weight of Ethyl 3-[(mesitylsulfonyl)amino]-3-(4-methylphenyl)propanoate?
The molecular weight of Ethyl 3-[(mesitylsulfonyl)amino]-3-(4-methylphenyl)propanoate is 389.17 g/mol.
Where can I buy Ethyl 3-[(mesitylsulfonyl)amino]-3-(4-methylphenyl)propanoate?
You can request a quote for Ethyl 3-[(mesitylsulfonyl)amino]-3-(4-methylphenyl)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-[(mesitylsulfonyl)amino]-3-(4-methylphenyl)propanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-[(mesitylsulfonyl)amino]-3-(4-methylphenyl)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.