Ethyl 3-(3-nitrophenyl)-3-(2,4,6-trimethylbenzenesulfonamido)propanoate
TL;DR: Ethyl 3-(3-nitrophenyl)-3-(2,4,6-trimethylbenzenesulfonamido)propanoate (CAS 681841-26-9) is a chemical compound with molecular formula C20H24N2O6S and molecular weight 420.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-(3-nitrophenyl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanoate
Also Known As: ethyl 3-(3-nitrophenyl)-3-(2,4,6-trimethylbenzenesulfonamido)propanoate, ethyl 3-(3-nitrophenyl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanoate, A2899/0122114, ethyl 3-[(mesitylsulfonyl)amino]-3-(3-nitrophenyl)propanoate, ethyl 3-(3-nitrophenyl)-3-{[(2,4,6-trimethylphenyl)sulfonyl]amino}propanoate
| Molecular Formula | C20H24N2O6S |
|---|---|
| Molecular Weight | 420.14 g/mol |
| LogP | 3.49286 |
| Topological Polar Surface Area | 115.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 420.1355 |
| Heavy Atoms | 29 |
| Complexity | 1010.0121 |
Chemical Identifiers
| CAS Number | 681841-26-9 |
|---|---|
| SMILES | CCOC(=O)CC(C1=CC(=CC=C1)[N+](=O)[O-])NS(=O)(=O)C2=C(C=C(C=C2C)C)C |
Product Overview
Ethyl 3-(3-nitrophenyl)-3-(2,4,6-trimethylbenzenesulfonamido)propanoate (CAS 681841-26-9), with molecular formula C20H24N2O6S and molecular weight 420.14 g/mol. IUPAC: ethyl 3-(3-nitrophenyl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanoate.
Chemical Property Profile of Ethyl 3-(3-nitrophenyl)-3-(2,4,6-trimethylbenzenesulfonamido)propanoate
Property Insights of Ethyl 3-(3-nitrophenyl)-3-(2,4,6-trimethylbenzenesulfonamido)propanoate
The XLogP value of 3.49286 indicates that Ethyl 3-(3-nitrophenyl)-3-(2,4,6-trimethylbenzenesulfonamido)propanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 115.61 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 3-(3-nitrophenyl)-3-(2,4,6-trimethylbenzenesulfonamido)propanoate. Following Lipinski's Rule of Five, Ethyl 3-(3-nitrophenyl)-3-(2,4,6-trimethylbenzenesulfonamido)propanoate has 1 hydrogen bond donor(s) and 6 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-(3-nitrophenyl)-3-(2,4,6-trimethylbenzenesulfonamido)propanoate?
The CAS number of Ethyl 3-(3-nitrophenyl)-3-(2,4,6-trimethylbenzenesulfonamido)propanoate is 681841-26-9.
What is the molecular formula of Ethyl 3-(3-nitrophenyl)-3-(2,4,6-trimethylbenzenesulfonamido)propanoate?
The molecular formula of Ethyl 3-(3-nitrophenyl)-3-(2,4,6-trimethylbenzenesulfonamido)propanoate is C20H24N2O6S.
What is the molecular weight of Ethyl 3-(3-nitrophenyl)-3-(2,4,6-trimethylbenzenesulfonamido)propanoate?
The molecular weight of Ethyl 3-(3-nitrophenyl)-3-(2,4,6-trimethylbenzenesulfonamido)propanoate is 420.14 g/mol.
Where can I buy Ethyl 3-(3-nitrophenyl)-3-(2,4,6-trimethylbenzenesulfonamido)propanoate?
You can request a quote for Ethyl 3-(3-nitrophenyl)-3-(2,4,6-trimethylbenzenesulfonamido)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-(3-nitrophenyl)-3-(2,4,6-trimethylbenzenesulfonamido)propanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-(3-nitrophenyl)-3-(2,4,6-trimethylbenzenesulfonamido)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.