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Ethyl 4-{methyl[(4-methylphenyl)sulfonyl]amino}benzoate
TL;DR: Ethyl 4-{methyl[(4-methylphenyl)sulfonyl]amino}benzoate (CAS 16965-50-7) 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.
ethyl 4-[methyl-(4-methylphenyl)sulfonylamino]benzoate
Also Known As: ethyl 4-[methyl-(4-methylphenyl)sulfonylamino]benzoate, Ethyl 4-(N,4-dimethylbenzene-1-sulfonamido)benzoate, ethyl 4-{methyl[(4-methylphenyl)sulfonyl]amino}benzoate, Benzoic acid, 4-[methyl[(4-methylphenyl)sulfonyl]amino]-, ethyl ester
| Molecular Formula | C17H19NO4S |
|---|---|
| Molecular Weight | 333.10 g/mol |
| LogP | 2.99682 |
| Topological Polar Surface Area | 63.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 333.1035 |
| Heavy Atoms | 23 |
| Complexity | 780.348 |
Chemical Identifiers
| CAS Number | 16965-50-7 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)N(C)S(=O)(=O)C2=CC=C(C=C2)C |
Product Overview
Ethyl 4-{methyl[(4-methylphenyl)sulfonyl]amino}benzoate (CAS 16965-50-7), with molecular formula C17H19NO4S and molecular weight 333.10 g/mol. IUPAC: ethyl 4-[methyl-(4-methylphenyl)sulfonylamino]benzoate.
Chemical Property Profile of Ethyl 4-{methyl[(4-methylphenyl)sulfonyl]amino}benzoate
Property Insights of Ethyl 4-{methyl[(4-methylphenyl)sulfonyl]amino}benzoate
The XLogP value of 2.99682 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-{methyl[(4-methylphenyl)sulfonyl]amino}benzoate. The TPSA of 63.68 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-{methyl[(4-methylphenyl)sulfonyl]amino}benzoate. Following Lipinski's Rule of Five, Ethyl 4-{methyl[(4-methylphenyl)sulfonyl]amino}benzoate has 0 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 4-{methyl[(4-methylphenyl)sulfonyl]amino}benzoate?
The CAS number of Ethyl 4-{methyl[(4-methylphenyl)sulfonyl]amino}benzoate is 16965-50-7.
What is the molecular formula of Ethyl 4-{methyl[(4-methylphenyl)sulfonyl]amino}benzoate?
The molecular formula of Ethyl 4-{methyl[(4-methylphenyl)sulfonyl]amino}benzoate is C17H19NO4S.
What is the molecular weight of Ethyl 4-{methyl[(4-methylphenyl)sulfonyl]amino}benzoate?
The molecular weight of Ethyl 4-{methyl[(4-methylphenyl)sulfonyl]amino}benzoate is 333.10 g/mol.
Where can I buy Ethyl 4-{methyl[(4-methylphenyl)sulfonyl]amino}benzoate?
You can request a quote for Ethyl 4-{methyl[(4-methylphenyl)sulfonyl]amino}benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-{methyl[(4-methylphenyl)sulfonyl]amino}benzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-{methyl[(4-methylphenyl)sulfonyl]amino}benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.