![Ethyl 3-(ethoxycarbonyl)-5-[(ethylsulfonyl)amino]benzoate structure](/static/products/888/888098-59-7.png)
Ethyl 3-(ethoxycarbonyl)-5-[(ethylsulfonyl)amino]benzoate
TL;DR: Ethyl 3-(ethoxycarbonyl)-5-[(ethylsulfonyl)amino]benzoate (CAS 888098-59-7) is a chemical compound with molecular formula C14H19NO6S and molecular weight 329.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 5-(ethylsulfonylamino)benzene-1,3-dicarboxylate
Also Known As: diethyl 5-(ethylsulfonamido)isophthalate, DIETHYL 5-[(ETHYLSULFONYL)AMINO]ISOPHTHALATE, diethyl 5-(ethylsulfonylamino)benzene-1,3-dicarboxylate, diethyl 5-[(ethylsulfonyl)amino]benzene-1,3-dicarboxylate, ethyl 3-(ethoxycarbonyl)-5-[(ethylsulfonyl)amino]benzoate
| Molecular Formula | C14H19NO6S |
|---|---|
| Molecular Weight | 329.09 g/mol |
| LogP | 1.8016 |
| Topological Polar Surface Area | 98.77 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 329.09332 |
| Heavy Atoms | 22 |
| Complexity | 617.04694 |
Chemical Identifiers
| CAS Number | 888098-59-7 |
|---|---|
| SMILES | CCOC(=O)C1=CC(=CC(=C1)NS(=O)(=O)CC)C(=O)OCC |
Product Overview
Ethyl 3-(ethoxycarbonyl)-5-[(ethylsulfonyl)amino]benzoate (CAS 888098-59-7), with molecular formula C14H19NO6S and molecular weight 329.09 g/mol. IUPAC: diethyl 5-(ethylsulfonylamino)benzene-1,3-dicarboxylate.
Chemical Property Profile of Ethyl 3-(ethoxycarbonyl)-5-[(ethylsulfonyl)amino]benzoate
Property Insights of Ethyl 3-(ethoxycarbonyl)-5-[(ethylsulfonyl)amino]benzoate
The XLogP value of 1.8016 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3-(ethoxycarbonyl)-5-[(ethylsulfonyl)amino]benzoate. The TPSA of 98.77 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 3-(ethoxycarbonyl)-5-[(ethylsulfonyl)amino]benzoate. Following Lipinski's Rule of Five, Ethyl 3-(ethoxycarbonyl)-5-[(ethylsulfonyl)amino]benzoate has 1 hydrogen bond donor(s) and 6 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-(ethoxycarbonyl)-5-[(ethylsulfonyl)amino]benzoate?
The CAS number of Ethyl 3-(ethoxycarbonyl)-5-[(ethylsulfonyl)amino]benzoate is 888098-59-7.
What is the molecular formula of Ethyl 3-(ethoxycarbonyl)-5-[(ethylsulfonyl)amino]benzoate?
The molecular formula of Ethyl 3-(ethoxycarbonyl)-5-[(ethylsulfonyl)amino]benzoate is C14H19NO6S.
What is the molecular weight of Ethyl 3-(ethoxycarbonyl)-5-[(ethylsulfonyl)amino]benzoate?
The molecular weight of Ethyl 3-(ethoxycarbonyl)-5-[(ethylsulfonyl)amino]benzoate is 329.09 g/mol.
Where can I buy Ethyl 3-(ethoxycarbonyl)-5-[(ethylsulfonyl)amino]benzoate?
You can request a quote for Ethyl 3-(ethoxycarbonyl)-5-[(ethylsulfonyl)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-(ethoxycarbonyl)-5-[(ethylsulfonyl)amino]benzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-(ethoxycarbonyl)-5-[(ethylsulfonyl)amino]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.