Ethyl 5-(4-chlorobenzoyl)-4-methyl-1,3-thiazol-2-ylcarbamate
TL;DR: Ethyl 5-(4-chlorobenzoyl)-4-methyl-1,3-thiazol-2-ylcarbamate (CAS 680595-81-7) 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 N-[5-(4-chlorobenzoyl)-4-methyl-1,3-thiazol-2-yl]carbamate
Also Known As: ethyl 5-(4-chlorobenzoyl)-4-methyl-1,3-thiazol-2-ylcarbamate, AQ-360/42595669, ethyl N-[5-(4-chlorobenzoyl)-4-methyl-1,3-thiazol-2-yl]carbamate
| Molecular Formula | C14H13ClN2O3S |
|---|---|
| Molecular Weight | 324.03 g/mol |
| LogP | 3.90432 |
| 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 | 667.3587 |
Chemical Identifiers
| CAS Number | 680595-81-7 |
|---|---|
| SMILES | CCOC(=O)NC1=NC(=C(S1)C(=O)C2=CC=C(C=C2)Cl)C |
Product Overview
Ethyl 5-(4-chlorobenzoyl)-4-methyl-1,3-thiazol-2-ylcarbamate (CAS 680595-81-7), with molecular formula C14H13ClN2O3S and molecular weight 324.03 g/mol. IUPAC: ethyl N-[5-(4-chlorobenzoyl)-4-methyl-1,3-thiazol-2-yl]carbamate.
Chemical Property Profile of Ethyl 5-(4-chlorobenzoyl)-4-methyl-1,3-thiazol-2-ylcarbamate
Property Insights of Ethyl 5-(4-chlorobenzoyl)-4-methyl-1,3-thiazol-2-ylcarbamate
The XLogP value of 3.90432 indicates that Ethyl 5-(4-chlorobenzoyl)-4-methyl-1,3-thiazol-2-ylcarbamate 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-(4-chlorobenzoyl)-4-methyl-1,3-thiazol-2-ylcarbamate. Following Lipinski's Rule of Five, Ethyl 5-(4-chlorobenzoyl)-4-methyl-1,3-thiazol-2-ylcarbamate 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-(4-chlorobenzoyl)-4-methyl-1,3-thiazol-2-ylcarbamate?
The CAS number of Ethyl 5-(4-chlorobenzoyl)-4-methyl-1,3-thiazol-2-ylcarbamate is 680595-81-7.
What is the molecular formula of Ethyl 5-(4-chlorobenzoyl)-4-methyl-1,3-thiazol-2-ylcarbamate?
The molecular formula of Ethyl 5-(4-chlorobenzoyl)-4-methyl-1,3-thiazol-2-ylcarbamate is C14H13ClN2O3S.
What is the molecular weight of Ethyl 5-(4-chlorobenzoyl)-4-methyl-1,3-thiazol-2-ylcarbamate?
The molecular weight of Ethyl 5-(4-chlorobenzoyl)-4-methyl-1,3-thiazol-2-ylcarbamate is 324.03 g/mol.
Where can I buy Ethyl 5-(4-chlorobenzoyl)-4-methyl-1,3-thiazol-2-ylcarbamate?
You can request a quote for Ethyl 5-(4-chlorobenzoyl)-4-methyl-1,3-thiazol-2-ylcarbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 5-(4-chlorobenzoyl)-4-methyl-1,3-thiazol-2-ylcarbamate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 5-(4-chlorobenzoyl)-4-methyl-1,3-thiazol-2-ylcarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.