![Ethyl 4-[(dimethylamino)sulfonyl]benzoate structure](/static/products/831/83112-37-2.png)
Ethyl 4-[(dimethylamino)sulfonyl]benzoate
TL;DR: Ethyl 4-[(dimethylamino)sulfonyl]benzoate (CAS 83112-37-2) is a chemical compound with molecular formula C11H15NO4S and molecular weight 257.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-(dimethylsulfamoyl)benzoate
Also Known As: TimTec1_000906, ethyl 4-(dimethylsulfamoyl)benzoate, ethyl 4-[(dimethylamino)sulfonyl]benzoate, Ethyl 4-(N,N-dimethylsulfamoyl)benzoate, BRD-K59188470-001-01-7
| Molecular Formula | C11H15NO4S |
|---|---|
| Molecular Weight | 257.07 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 72.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 257.07217 |
| Heavy Atoms | 17 |
| Complexity | 350.0 |
Chemical Identifiers
| CAS Number | 83112-37-2 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N(C)C |
| InChIKey | WKXHGFBQMXSDSH-UHFFFAOYSA-N |
Product Overview
Ethyl 4-[(dimethylamino)sulfonyl]benzoate (CAS 83112-37-2), with molecular formula C11H15NO4S and molecular weight 257.07 g/mol. IUPAC: ethyl 4-(dimethylsulfamoyl)benzoate.
Chemical Property Profile of Ethyl 4-[(dimethylamino)sulfonyl]benzoate
Property Insights of Ethyl 4-[(dimethylamino)sulfonyl]benzoate
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-[(dimethylamino)sulfonyl]benzoate. The TPSA of 72.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-[(dimethylamino)sulfonyl]benzoate. Following Lipinski's Rule of Five, Ethyl 4-[(dimethylamino)sulfonyl]benzoate has 0 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-[(dimethylamino)sulfonyl]benzoate?
The CAS number of Ethyl 4-[(dimethylamino)sulfonyl]benzoate is 83112-37-2.
What is the molecular formula of Ethyl 4-[(dimethylamino)sulfonyl]benzoate?
The molecular formula of Ethyl 4-[(dimethylamino)sulfonyl]benzoate is C11H15NO4S.
What is the molecular weight of Ethyl 4-[(dimethylamino)sulfonyl]benzoate?
The molecular weight of Ethyl 4-[(dimethylamino)sulfonyl]benzoate is 257.07 g/mol.
Where can I buy Ethyl 4-[(dimethylamino)sulfonyl]benzoate?
You can request a quote for Ethyl 4-[(dimethylamino)sulfonyl]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-[(dimethylamino)sulfonyl]benzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-[(dimethylamino)sulfonyl]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.