Ethyl 4-(2-(phenylsulfonyl)acetamido)benzoate
TL;DR: Ethyl 4-(2-(phenylsulfonyl)acetamido)benzoate (CAS 847588-91-4) 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-[[2-(benzenesulfonyl)acetyl]amino]benzoate
Also Known As: ethyl 4-(2-(phenylsulfonyl)acetamido)benzoate, ETHYL 4-[2-(BENZENESULFONYL)ACETAMIDO]BENZOATE, ethyl 4-[[2-(benzenesulfonyl)acetyl]amino]benzoate, ethyl 4-[2-(phenylsulfonyl)acetylamino]benzoate, ethyl 4-{[(phenylsulfonyl)acetyl]amino}benzoate
| Molecular Formula | C17H17NO5S |
|---|---|
| Molecular Weight | 347.08 g/mol |
| LogP | 2.2757 |
| Topological Polar Surface Area | 89.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 347.08273 |
| Heavy Atoms | 24 |
| Complexity | 813.8192 |
Chemical Identifiers
| CAS Number | 847588-91-4 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(=O)CS(=O)(=O)C2=CC=CC=C2 |
Product Overview
Ethyl 4-(2-(phenylsulfonyl)acetamido)benzoate (CAS 847588-91-4), with molecular formula C17H17NO5S and molecular weight 347.08 g/mol. IUPAC: ethyl 4-[[2-(benzenesulfonyl)acetyl]amino]benzoate.
Chemical Property Profile of Ethyl 4-(2-(phenylsulfonyl)acetamido)benzoate
Property Insights of Ethyl 4-(2-(phenylsulfonyl)acetamido)benzoate
The XLogP value of 2.2757 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-(2-(phenylsulfonyl)acetamido)benzoate. The TPSA of 89.54 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-(2-(phenylsulfonyl)acetamido)benzoate. Following Lipinski's Rule of Five, Ethyl 4-(2-(phenylsulfonyl)acetamido)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-(2-(phenylsulfonyl)acetamido)benzoate?
The CAS number of Ethyl 4-(2-(phenylsulfonyl)acetamido)benzoate is 847588-91-4.
What is the molecular formula of Ethyl 4-(2-(phenylsulfonyl)acetamido)benzoate?
The molecular formula of Ethyl 4-(2-(phenylsulfonyl)acetamido)benzoate is C17H17NO5S.
What is the molecular weight of Ethyl 4-(2-(phenylsulfonyl)acetamido)benzoate?
The molecular weight of Ethyl 4-(2-(phenylsulfonyl)acetamido)benzoate is 347.08 g/mol.
Where can I buy Ethyl 4-(2-(phenylsulfonyl)acetamido)benzoate?
You can request a quote for Ethyl 4-(2-(phenylsulfonyl)acetamido)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-(2-(phenylsulfonyl)acetamido)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-(2-(phenylsulfonyl)acetamido)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.