![Ethyl 5-[(2-chlorophenyl)carbonylamino]-3-methylisothiazole-4-carboxylate structure](/static/products/231/23155-59-1.png)
Ethyl 5-[(2-chlorophenyl)carbonylamino]-3-methylisothiazole-4-carboxylate
TL;DR: Ethyl 5-[(2-chlorophenyl)carbonylamino]-3-methylisothiazole-4-carboxylate (CAS 23155-59-1) is a chemical compound with molecular formula C14H13ClN2O3S and molecular weight 324.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-[(2-chlorobenzoyl)amino]-3-methyl-1,2-thiazole-4-carboxylate
Also Known As: Ethyl 5-[(2-chlorobenzoyl)amino]-3-methyl-1,2-thiazole-4-carboxylate, ethyl 5-(2-chlorobenzamido)-3-methylisothiazole-4-carboxylate, ETHYL 5-[(2-CHLOROBENZOYL)AMINO]-3-METHYL-4-ISOTHIAZOLECARBOXYLATE, ethyl 5-[(2-chlorophenyl)carbonylamino]-3-methylisothiazole-4-carboxylate, ethyl 5-{[(2-chlorophenyl)carbonyl]amino}-3-methyl-1,2-thiazole-4-carboxylate
| Molecular Formula | C14H13ClN2O3S |
|---|---|
| Molecular Weight | 324.03 g/mol |
| LogP | 3.53392 |
| Topological Polar Surface Area | 68.29 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 324.03354 |
| Heavy Atoms | 21 |
| Complexity | 684.6087 |
Chemical Identifiers
| CAS Number | 23155-59-1 |
|---|---|
| SMILES | CCOC(=O)C1=C(SN=C1C)NC(=O)C2=CC=CC=C2Cl |
Product Overview
Ethyl 5-[(2-chlorophenyl)carbonylamino]-3-methylisothiazole-4-carboxylate (CAS 23155-59-1), with molecular formula C14H13ClN2O3S and molecular weight 324.03 g/mol. IUPAC: ethyl 5-[(2-chlorobenzoyl)amino]-3-methyl-1,2-thiazole-4-carboxylate.
Chemical Property Profile of Ethyl 5-[(2-chlorophenyl)carbonylamino]-3-methylisothiazole-4-carboxylate
Property Insights of Ethyl 5-[(2-chlorophenyl)carbonylamino]-3-methylisothiazole-4-carboxylate
The XLogP value of 3.53392 indicates that Ethyl 5-[(2-chlorophenyl)carbonylamino]-3-methylisothiazole-4-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.29 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 5-[(2-chlorophenyl)carbonylamino]-3-methylisothiazole-4-carboxylate. Following Lipinski's Rule of Five, Ethyl 5-[(2-chlorophenyl)carbonylamino]-3-methylisothiazole-4-carboxylate 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 5-[(2-chlorophenyl)carbonylamino]-3-methylisothiazole-4-carboxylate?
The CAS number of Ethyl 5-[(2-chlorophenyl)carbonylamino]-3-methylisothiazole-4-carboxylate is 23155-59-1.
What is the molecular formula of Ethyl 5-[(2-chlorophenyl)carbonylamino]-3-methylisothiazole-4-carboxylate?
The molecular formula of Ethyl 5-[(2-chlorophenyl)carbonylamino]-3-methylisothiazole-4-carboxylate is C14H13ClN2O3S.
What is the molecular weight of Ethyl 5-[(2-chlorophenyl)carbonylamino]-3-methylisothiazole-4-carboxylate?
The molecular weight of Ethyl 5-[(2-chlorophenyl)carbonylamino]-3-methylisothiazole-4-carboxylate is 324.03 g/mol.
Where can I buy Ethyl 5-[(2-chlorophenyl)carbonylamino]-3-methylisothiazole-4-carboxylate?
You can request a quote for Ethyl 5-[(2-chlorophenyl)carbonylamino]-3-methylisothiazole-4-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 5-[(2-chlorophenyl)carbonylamino]-3-methylisothiazole-4-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 5-[(2-chlorophenyl)carbonylamino]-3-methylisothiazole-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.