![Ethyl 3-[[3-[(4-methylphenyl)sulfonyl]-1-oxopropyl]amino]benzoate structure](/static/products/6972/697257-16-2.webp)
Ethyl 3-[[3-[(4-methylphenyl)sulfonyl]-1-oxopropyl]amino]benzoate
TL;DR: Ethyl 3-[[3-[(4-methylphenyl)sulfonyl]-1-oxopropyl]amino]benzoate (CAS 697257-16-2) is a chemical compound with molecular formula C19H21NO5S and molecular weight 375.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-[3-(4-methylphenyl)sulfonylpropanoylamino]benzoate
Also Known As: Ethyl 3-[[3-[(4-methylphenyl)sulfonyl]-1-oxopropyl]amino]benzoate, Ethyl 3-[3-(4-methylphenyl)sulfonylpropanoylamino]benzoate, Ethyl 3-[3-(4-methylbenzene-1-sulfonyl)propanamido]benzoate, Ethyl 3-((3-((4-methylphenyl)sulfonyl)-1-oxopropyl)amino)benzoate, RefChem:343086
| Molecular Formula | C19H21NO5S |
|---|---|
| Molecular Weight | 375.11 g/mol |
| LogP | 2.97422 |
| Topological Polar Surface Area | 89.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 375.11404 |
| Heavy Atoms | 26 |
| Complexity | 888.40045 |
Chemical Identifiers
| CAS Number | 697257-16-2 |
|---|---|
| SMILES | CCOC(=O)C1=CC(=CC=C1)NC(=O)CCS(=O)(=O)C2=CC=C(C=C2)C |
Product Overview
Ethyl 3-[[3-[(4-methylphenyl)sulfonyl]-1-oxopropyl]amino]benzoate (CAS 697257-16-2), with molecular formula C19H21NO5S and molecular weight 375.11 g/mol. IUPAC: ethyl 3-[3-(4-methylphenyl)sulfonylpropanoylamino]benzoate.
Chemical Property Profile of Ethyl 3-[[3-[(4-methylphenyl)sulfonyl]-1-oxopropyl]amino]benzoate
Property Insights of Ethyl 3-[[3-[(4-methylphenyl)sulfonyl]-1-oxopropyl]amino]benzoate
The XLogP value of 2.97422 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3-[[3-[(4-methylphenyl)sulfonyl]-1-oxopropyl]amino]benzoate. The TPSA of 89.54 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 3-[[3-[(4-methylphenyl)sulfonyl]-1-oxopropyl]amino]benzoate. Following Lipinski's Rule of Five, Ethyl 3-[[3-[(4-methylphenyl)sulfonyl]-1-oxopropyl]amino]benzoate 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-[[3-[(4-methylphenyl)sulfonyl]-1-oxopropyl]amino]benzoate?
The CAS number of Ethyl 3-[[3-[(4-methylphenyl)sulfonyl]-1-oxopropyl]amino]benzoate is 697257-16-2.
What is the molecular formula of Ethyl 3-[[3-[(4-methylphenyl)sulfonyl]-1-oxopropyl]amino]benzoate?
The molecular formula of Ethyl 3-[[3-[(4-methylphenyl)sulfonyl]-1-oxopropyl]amino]benzoate is C19H21NO5S.
What is the molecular weight of Ethyl 3-[[3-[(4-methylphenyl)sulfonyl]-1-oxopropyl]amino]benzoate?
The molecular weight of Ethyl 3-[[3-[(4-methylphenyl)sulfonyl]-1-oxopropyl]amino]benzoate is 375.11 g/mol.
Where can I buy Ethyl 3-[[3-[(4-methylphenyl)sulfonyl]-1-oxopropyl]amino]benzoate?
You can request a quote for Ethyl 3-[[3-[(4-methylphenyl)sulfonyl]-1-oxopropyl]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 3-[[3-[(4-methylphenyl)sulfonyl]-1-oxopropyl]amino]benzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-[[3-[(4-methylphenyl)sulfonyl]-1-oxopropyl]amino]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.