Ethyl 4-(3-(methylsulfonyl)benzamido)benzoate
TL;DR: Ethyl 4-(3-(methylsulfonyl)benzamido)benzoate (CAS 896295-47-9) is a chemical compound with molecular formula C17H17NO5S and molecular weight 347.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[(3-methylsulfonylbenzoyl)amino]benzoate
Also Known As: ethyl 4-(3-methanesulfonylbenzamido)benzoate, ethyl 4-(3-(methylsulfonyl)benzamido)benzoate, ethyl 4-[(3-methylsulfonylbenzoyl)amino]benzoate, F2557-0204
| Molecular Formula | C17H17NO5S |
|---|---|
| Molecular Weight | 347.08 g/mol |
| LogP | 2.5191 |
| Topological Polar Surface Area | 89.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 347.08273 |
| Heavy Atoms | 24 |
| Complexity | 856.80457 |
Chemical Identifiers
| CAS Number | 896295-47-9 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)C |
Product Overview
Ethyl 4-(3-(methylsulfonyl)benzamido)benzoate (CAS 896295-47-9), with molecular formula C17H17NO5S and molecular weight 347.08 g/mol. IUPAC: ethyl 4-[(3-methylsulfonylbenzoyl)amino]benzoate.
Chemical Property Profile of Ethyl 4-(3-(methylsulfonyl)benzamido)benzoate
Property Insights of Ethyl 4-(3-(methylsulfonyl)benzamido)benzoate
The XLogP value of 2.5191 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-(3-(methylsulfonyl)benzamido)benzoate. The TPSA of 89.54 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-(3-(methylsulfonyl)benzamido)benzoate. Following Lipinski's Rule of Five, Ethyl 4-(3-(methylsulfonyl)benzamido)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 4-(3-(methylsulfonyl)benzamido)benzoate?
The CAS number of Ethyl 4-(3-(methylsulfonyl)benzamido)benzoate is 896295-47-9.
What is the molecular formula of Ethyl 4-(3-(methylsulfonyl)benzamido)benzoate?
The molecular formula of Ethyl 4-(3-(methylsulfonyl)benzamido)benzoate is C17H17NO5S.
What is the molecular weight of Ethyl 4-(3-(methylsulfonyl)benzamido)benzoate?
The molecular weight of Ethyl 4-(3-(methylsulfonyl)benzamido)benzoate is 347.08 g/mol.
Where can I buy Ethyl 4-(3-(methylsulfonyl)benzamido)benzoate?
You can request a quote for Ethyl 4-(3-(methylsulfonyl)benzamido)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-(3-(methylsulfonyl)benzamido)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-(3-(methylsulfonyl)benzamido)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.