Methyl 2-chloro-4-thiazolecarboxylate
TL;DR: Methyl 2-chloro-4-thiazolecarboxylate (CAS 41731-52-6) is a chemical compound with molecular formula C5H4ClNO2S and molecular weight 176.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-chloro-1,3-thiazole-4-carboxylate
Also Known As: Methyl 2-chloro-4-thiazolecarboxylate, Methyl 2-chlorothiazole-4-carboxylate, methyl 2-chloro-1,3-thiazole-4-carboxylate, Methyl2-Chloro-4-Thiazolecarboxylate, Methyl 2-chlorothiazole-5-carboxylate
| Molecular Formula | C5H4ClNO2S |
|---|---|
| Molecular Weight | 176.97 g/mol |
| LogP | 1.5831 |
| Topological Polar Surface Area | 39.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 176.96513 |
| Heavy Atoms | 10 |
| Complexity | 247.55092 |
Chemical Identifiers
| CAS Number | 41731-52-6 |
|---|---|
| SMILES | COC(=O)C1=CSC(=N1)Cl |
Product Overview
Methyl 2-chloro-4-thiazolecarboxylate (CAS 41731-52-6), with molecular formula C5H4ClNO2S and molecular weight 176.97 g/mol. IUPAC: methyl 2-chloro-1,3-thiazole-4-carboxylate.
Chemical Property Profile of Methyl 2-chloro-4-thiazolecarboxylate
Property Insights of Methyl 2-chloro-4-thiazolecarboxylate
The XLogP value of 1.5831 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-chloro-4-thiazolecarboxylate. With a topological polar surface area (TPSA) of 39.19 Ų, Methyl 2-chloro-4-thiazolecarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2-chloro-4-thiazolecarboxylate has 0 hydrogen bond donor(s) and 4 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 Methyl 2-chloro-4-thiazolecarboxylate?
The CAS number of Methyl 2-chloro-4-thiazolecarboxylate is 41731-52-6.
What is the molecular formula of Methyl 2-chloro-4-thiazolecarboxylate?
The molecular formula of Methyl 2-chloro-4-thiazolecarboxylate is C5H4ClNO2S.
What is the molecular weight of Methyl 2-chloro-4-thiazolecarboxylate?
The molecular weight of Methyl 2-chloro-4-thiazolecarboxylate is 176.97 g/mol.
Where can I buy Methyl 2-chloro-4-thiazolecarboxylate?
You can request a quote for Methyl 2-chloro-4-thiazolecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-chloro-4-thiazolecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-chloro-4-thiazolecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.