4-Isothiazolecarboxylic acid, 5-chloro-3-methyl-, 2-(diethylamino)ethyl ester
TL;DR: 4-Isothiazolecarboxylic acid, 5-chloro-3-methyl-, 2-(diethylamino)ethyl ester (CAS 23310-71-6) is a chemical compound with molecular formula C11H17ClN2O2S and molecular weight 276.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(diethylamino)ethyl 5-chloro-3-methyl-1,2-thiazole-4-carboxylate
Also Known As: 4-ISOTHIAZOLECARBOXYLIC ACID, 5-CHLORO-3-METHYL-, 2-(DIETHYLAMINO)ETHYL ESTER, 5-Chloro-3-methyl-4-isothiazolecarboxylic acid 2-(diethylamino)ethyl ester, 2-(diethylamino)ethyl 5-chloro-3-methyl-1,2-thiazole-4-carboxylate, 2-diethylaminoethyl 5-chloro-3-methyl-1,2-thiazole-4-carboxylate, BRN 1115399
| Molecular Formula | C11H17ClN2O2S |
|---|---|
| Molecular Weight | 276.07 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 70.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 276.06992 |
| Heavy Atoms | 17 |
| Complexity | 252.0 |
Chemical Identifiers
| CAS Number | 23310-71-6 |
|---|---|
| SMILES | CCN(CC)CCOC(=O)C1=C(SN=C1C)Cl |
| InChIKey | CHSYANTYCNLRSL-UHFFFAOYSA-N |
Product Overview
4-Isothiazolecarboxylic acid, 5-chloro-3-methyl-, 2-(diethylamino)ethyl ester (CAS 23310-71-6), with molecular formula C11H17ClN2O2S and molecular weight 276.07 g/mol. IUPAC: 2-(diethylamino)ethyl 5-chloro-3-methyl-1,2-thiazole-4-carboxylate.
Chemical Property Profile of 4-Isothiazolecarboxylic acid, 5-chloro-3-methyl-, 2-(diethylamino)ethyl ester
Property Insights of 4-Isothiazolecarboxylic acid, 5-chloro-3-methyl-, 2-(diethylamino)ethyl ester
The XLogP value of 3.0 indicates that 4-Isothiazolecarboxylic acid, 5-chloro-3-methyl-, 2-(diethylamino)ethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Isothiazolecarboxylic acid, 5-chloro-3-methyl-, 2-(diethylamino)ethyl ester. Following Lipinski's Rule of Five, 4-Isothiazolecarboxylic acid, 5-chloro-3-methyl-, 2-(diethylamino)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-Isothiazolecarboxylic acid, 5-chloro-3-methyl-, 2-(diethylamino)ethyl ester?
The CAS number of 4-Isothiazolecarboxylic acid, 5-chloro-3-methyl-, 2-(diethylamino)ethyl ester is 23310-71-6.
What is the molecular formula of 4-Isothiazolecarboxylic acid, 5-chloro-3-methyl-, 2-(diethylamino)ethyl ester?
The molecular formula of 4-Isothiazolecarboxylic acid, 5-chloro-3-methyl-, 2-(diethylamino)ethyl ester is C11H17ClN2O2S.
What is the molecular weight of 4-Isothiazolecarboxylic acid, 5-chloro-3-methyl-, 2-(diethylamino)ethyl ester?
The molecular weight of 4-Isothiazolecarboxylic acid, 5-chloro-3-methyl-, 2-(diethylamino)ethyl ester is 276.07 g/mol.
Where can I buy 4-Isothiazolecarboxylic acid, 5-chloro-3-methyl-, 2-(diethylamino)ethyl ester?
You can request a quote for 4-Isothiazolecarboxylic acid, 5-chloro-3-methyl-, 2-(diethylamino)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-Isothiazolecarboxylic acid, 5-chloro-3-methyl-, 2-(diethylamino)ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 4-Isothiazolecarboxylic acid, 5-chloro-3-methyl-, 2-(diethylamino)ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.