Ethyl 5-(2,5-dichloroanilino)-3-methyl-4-isothiazolecarboxylate
TL;DR: Ethyl 5-(2,5-dichloroanilino)-3-methyl-4-isothiazolecarboxylate (CAS 438231-29-9) is a chemical compound with molecular formula C13H12Cl2N2O2S and molecular weight 330.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-(2,5-dichloroanilino)-3-methyl-1,2-thiazole-4-carboxylate
Also Known As: ethyl 5-(2,5-dichloroanilino)-3-methyl-4-isothiazolecarboxylate, ethyl 5-(2,5-dichloroanilino)-3-methyl-1,2-thiazole-4-carboxylate, ethyl 5-((2,5-dichlorophenyl)amino)-3-methylisothiazole-4-carboxylate, ethyl 5-[(2,5-dichlorophenyl)amino]-3-methyl-1,2-thiazole-4-carboxylate, ethyl 5-[(2,5-dichlorophenyl)amino]-3-methylisothiazole-4-carboxylate
| Molecular Formula | C13H12Cl2N2O2S |
|---|---|
| Molecular Weight | 330.00 g/mol |
| LogP | 4.67862 |
| Topological Polar Surface Area | 51.22 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 329.99966 |
| Heavy Atoms | 20 |
| Complexity | 643.2966 |
Chemical Identifiers
| CAS Number | 438231-29-9 |
|---|---|
| SMILES | CCOC(=O)C1=C(SN=C1C)NC2=C(C=CC(=C2)Cl)Cl |
Product Overview
Ethyl 5-(2,5-dichloroanilino)-3-methyl-4-isothiazolecarboxylate (CAS 438231-29-9), with molecular formula C13H12Cl2N2O2S and molecular weight 330.00 g/mol. IUPAC: ethyl 5-(2,5-dichloroanilino)-3-methyl-1,2-thiazole-4-carboxylate.
Chemical Property Profile of Ethyl 5-(2,5-dichloroanilino)-3-methyl-4-isothiazolecarboxylate
Property Insights of Ethyl 5-(2,5-dichloroanilino)-3-methyl-4-isothiazolecarboxylate
The XLogP value of 4.67862 indicates that Ethyl 5-(2,5-dichloroanilino)-3-methyl-4-isothiazolecarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.22 Ų, Ethyl 5-(2,5-dichloroanilino)-3-methyl-4-isothiazolecarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 5-(2,5-dichloroanilino)-3-methyl-4-isothiazolecarboxylate 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-(2,5-dichloroanilino)-3-methyl-4-isothiazolecarboxylate?
The CAS number of Ethyl 5-(2,5-dichloroanilino)-3-methyl-4-isothiazolecarboxylate is 438231-29-9.
What is the molecular formula of Ethyl 5-(2,5-dichloroanilino)-3-methyl-4-isothiazolecarboxylate?
The molecular formula of Ethyl 5-(2,5-dichloroanilino)-3-methyl-4-isothiazolecarboxylate is C13H12Cl2N2O2S.
What is the molecular weight of Ethyl 5-(2,5-dichloroanilino)-3-methyl-4-isothiazolecarboxylate?
The molecular weight of Ethyl 5-(2,5-dichloroanilino)-3-methyl-4-isothiazolecarboxylate is 330.00 g/mol.
Where can I buy Ethyl 5-(2,5-dichloroanilino)-3-methyl-4-isothiazolecarboxylate?
You can request a quote for Ethyl 5-(2,5-dichloroanilino)-3-methyl-4-isothiazolecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 5-(2,5-dichloroanilino)-3-methyl-4-isothiazolecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 5-(2,5-dichloroanilino)-3-methyl-4-isothiazolecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.