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Ethyl 3-[(benzylsulfonyl)amino]benzoate
TL;DR: Ethyl 3-[(benzylsulfonyl)amino]benzoate (CAS 349612-58-4) is a chemical compound with molecular formula C16H17NO4S and molecular weight 319.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-(benzylsulfonylamino)benzoate
Also Known As: ethyl 3-(benzylsulfonylamino)benzoate, ethyl 3-[(benzylsulfonyl)amino]benzoate, ethyl 3-{[benzylsulfonyl]amino}benzoate, ethyl 3-(phenylmethylsulfonamido)benzoate, ETHYL 3-(PHENYLMETHANESULFONAMIDO)BENZOATE
| Molecular Formula | C16H17NO4S |
|---|---|
| Molecular Weight | 319.09 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 80.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 319.08783 |
| Heavy Atoms | 22 |
| Complexity | 451.0 |
Chemical Identifiers
| CAS Number | 349612-58-4 |
|---|---|
| SMILES | CCOC(=O)C1=CC(=CC=C1)NS(=O)(=O)CC2=CC=CC=C2 |
| InChIKey | OHLIXGLGCRYRRG-UHFFFAOYSA-N |
Product Overview
Ethyl 3-[(benzylsulfonyl)amino]benzoate (CAS 349612-58-4), with molecular formula C16H17NO4S and molecular weight 319.09 g/mol. IUPAC: ethyl 3-(benzylsulfonylamino)benzoate.
Chemical Property Profile of Ethyl 3-[(benzylsulfonyl)amino]benzoate
Property Insights of Ethyl 3-[(benzylsulfonyl)amino]benzoate
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3-[(benzylsulfonyl)amino]benzoate. The TPSA of 80.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 3-[(benzylsulfonyl)amino]benzoate. Following Lipinski's Rule of Five, Ethyl 3-[(benzylsulfonyl)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-[(benzylsulfonyl)amino]benzoate?
The CAS number of Ethyl 3-[(benzylsulfonyl)amino]benzoate is 349612-58-4.
What is the molecular formula of Ethyl 3-[(benzylsulfonyl)amino]benzoate?
The molecular formula of Ethyl 3-[(benzylsulfonyl)amino]benzoate is C16H17NO4S.
What is the molecular weight of Ethyl 3-[(benzylsulfonyl)amino]benzoate?
The molecular weight of Ethyl 3-[(benzylsulfonyl)amino]benzoate is 319.09 g/mol.
Where can I buy Ethyl 3-[(benzylsulfonyl)amino]benzoate?
You can request a quote for Ethyl 3-[(benzylsulfonyl)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-[(benzylsulfonyl)amino]benzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-[(benzylsulfonyl)amino]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.