Ethyl 2-(3-(3-chlorophenyl)ureido)-4-methylthiazole-5-carboxylate
TL;DR: Ethyl 2-(3-(3-chlorophenyl)ureido)-4-methylthiazole-5-carboxylate (CAS 380459-53-0) is a chemical compound with molecular formula C14H14ClN3O3S and molecular weight 339.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(3-chlorophenyl)carbamoylamino]-4-methyl-1,3-thiazole-5-carboxylate
Also Known As: BAS 05160590, ethyl 2-(3-(3-chlorophenyl)ureido)-4-methylthiazole-5-carboxylate, AB00313577-02, AB00313577-03, ethyl 2-[(3-chlorophenyl)carbamoylamino]-4-methyl-1,3-thiazole-5-carboxylate
| Molecular Formula | C14H14ClN3O3S |
|---|---|
| Molecular Weight | 339.04 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 109.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 339.04443 |
| Heavy Atoms | 22 |
| Complexity | 413.0 |
Chemical Identifiers
| CAS Number | 380459-53-0 |
|---|---|
| SMILES | CCOC(=O)C1=C(N=C(S1)NC(=O)NC2=CC(=CC=C2)Cl)C |
| InChIKey | KJEHQCFZQOPIHH-UHFFFAOYSA-N |
Product Overview
Ethyl 2-(3-(3-chlorophenyl)ureido)-4-methylthiazole-5-carboxylate (CAS 380459-53-0), with molecular formula C14H14ClN3O3S and molecular weight 339.04 g/mol. IUPAC: ethyl 2-[(3-chlorophenyl)carbamoylamino]-4-methyl-1,3-thiazole-5-carboxylate.
Chemical Property Profile of Ethyl 2-(3-(3-chlorophenyl)ureido)-4-methylthiazole-5-carboxylate
Property Insights of Ethyl 2-(3-(3-chlorophenyl)ureido)-4-methylthiazole-5-carboxylate
The XLogP value of 3.4 indicates that Ethyl 2-(3-(3-chlorophenyl)ureido)-4-methylthiazole-5-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 109.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-(3-(3-chlorophenyl)ureido)-4-methylthiazole-5-carboxylate. Following Lipinski's Rule of Five, Ethyl 2-(3-(3-chlorophenyl)ureido)-4-methylthiazole-5-carboxylate has 2 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 2-(3-(3-chlorophenyl)ureido)-4-methylthiazole-5-carboxylate?
The CAS number of Ethyl 2-(3-(3-chlorophenyl)ureido)-4-methylthiazole-5-carboxylate is 380459-53-0.
What is the molecular formula of Ethyl 2-(3-(3-chlorophenyl)ureido)-4-methylthiazole-5-carboxylate?
The molecular formula of Ethyl 2-(3-(3-chlorophenyl)ureido)-4-methylthiazole-5-carboxylate is C14H14ClN3O3S.
What is the molecular weight of Ethyl 2-(3-(3-chlorophenyl)ureido)-4-methylthiazole-5-carboxylate?
The molecular weight of Ethyl 2-(3-(3-chlorophenyl)ureido)-4-methylthiazole-5-carboxylate is 339.04 g/mol.
Where can I buy Ethyl 2-(3-(3-chlorophenyl)ureido)-4-methylthiazole-5-carboxylate?
You can request a quote for Ethyl 2-(3-(3-chlorophenyl)ureido)-4-methylthiazole-5-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-(3-(3-chlorophenyl)ureido)-4-methylthiazole-5-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-(3-(3-chlorophenyl)ureido)-4-methylthiazole-5-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.