4-Ethoxybenzenesulfonic acid 2-(dimethylamino)ethyl ester
TL;DR: 4-Ethoxybenzenesulfonic acid 2-(dimethylamino)ethyl ester (CAS 84678-40-0) is a chemical compound with molecular formula C12H19NO4S and molecular weight 273.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(dimethylamino)ethyl 4-ethoxybenzenesulfonate
Also Known As: 4-Ebsde, 4-Ethoxybenzenesulfonic acid 2-(dimethylamino)ethyl ester, 4-Ethoxybenzenesulfonicacid2- ethylester, 2-(dimethylamino)ethyl 4-ethoxybenzenesulfonate, 2-dimethylaminoethyl 4-ethoxybenzenesulfonate
| Molecular Formula | C12H19NO4S |
|---|---|
| Molecular Weight | 273.10 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 64.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 273.1035 |
| Heavy Atoms | 18 |
| Complexity | 315.0 |
Chemical Identifiers
| CAS Number | 84678-40-0 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)S(=O)(=O)OCCN(C)C |
| InChIKey | UHWJLLKARQXXDO-UHFFFAOYSA-N |
Product Overview
4-Ethoxybenzenesulfonic acid 2-(dimethylamino)ethyl ester (CAS 84678-40-0), with molecular formula C12H19NO4S and molecular weight 273.10 g/mol. IUPAC: 2-(dimethylamino)ethyl 4-ethoxybenzenesulfonate.
Chemical Property Profile of 4-Ethoxybenzenesulfonic acid 2-(dimethylamino)ethyl ester
Property Insights of 4-Ethoxybenzenesulfonic acid 2-(dimethylamino)ethyl ester
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Ethoxybenzenesulfonic acid 2-(dimethylamino)ethyl ester. The TPSA of 64.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Ethoxybenzenesulfonic acid 2-(dimethylamino)ethyl ester. Following Lipinski's Rule of Five, 4-Ethoxybenzenesulfonic acid 2-(dimethylamino)ethyl ester 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 4-Ethoxybenzenesulfonic acid 2-(dimethylamino)ethyl ester?
The CAS number of 4-Ethoxybenzenesulfonic acid 2-(dimethylamino)ethyl ester is 84678-40-0.
What is the molecular formula of 4-Ethoxybenzenesulfonic acid 2-(dimethylamino)ethyl ester?
The molecular formula of 4-Ethoxybenzenesulfonic acid 2-(dimethylamino)ethyl ester is C12H19NO4S.
What is the molecular weight of 4-Ethoxybenzenesulfonic acid 2-(dimethylamino)ethyl ester?
The molecular weight of 4-Ethoxybenzenesulfonic acid 2-(dimethylamino)ethyl ester is 273.10 g/mol.
Where can I buy 4-Ethoxybenzenesulfonic acid 2-(dimethylamino)ethyl ester?
You can request a quote for 4-Ethoxybenzenesulfonic acid 2-(dimethylamino)ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Ethoxybenzenesulfonic acid 2-(dimethylamino)ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 4-Ethoxybenzenesulfonic acid 2-(dimethylamino)ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.