4-甲基-1,3-噻唑-5-甲酸乙酯
TL;DR: 4-甲基-1,3-噻唑-5-甲酸乙酯 (CAS 81569-44-0) is a chemical compound with molecular formula C7H9NO2S and molecular weight 171.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-甲基-1,3-噻唑-5-甲酸乙酯
ethyl 4-methyl-1,3-thiazole-5-carboxylate
Also Known As: Ethyl 4-methylthiazole-5-carboxylate, Ethyl 4-methyl-1,3-thiazole-5-carboxylate, Ethyl 4-methyl-5-thiazoleactate, Ethyl4-methyl-5-thiazoleactate, ethylmethylthiazolecarboxylate
| Molecular Formula | C7H9NO2S |
|---|---|
| Molecular Weight | 171.04 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 67.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 171.0354 |
| Heavy Atoms | 11 |
| Complexity | 151.0 |
Chemical Identifiers
| CAS Number | 81569-44-0 |
|---|---|
| SMILES | CCOC(=O)C1=C(N=CS1)C |
| InChIKey | WISQBJLUORKXNY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-甲基-1,3-噻唑-5-甲酸乙酯 (CAS 81569-44-0), with molecular formula C7H9NO2S and molecular weight 171.04 g/mol. IUPAC: ethyl 4-methyl-1,3-thiazole-5-carboxylate.
Chemical Property Profile of 4-甲基-1,3-噻唑-5-甲酸乙酯
Property Insights of 4-甲基-1,3-噻唑-5-甲酸乙酯
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-甲基-1,3-噻唑-5-甲酸乙酯. The TPSA of 67.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-甲基-1,3-噻唑-5-甲酸乙酯. Following Lipinski's Rule of Five, 4-甲基-1,3-噻唑-5-甲酸乙酯 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 4-甲基-1,3-噻唑-5-甲酸乙酯?
The CAS number of 4-甲基-1,3-噻唑-5-甲酸乙酯 is 81569-44-0.
What is the molecular formula of 4-甲基-1,3-噻唑-5-甲酸乙酯?
The molecular formula of 4-甲基-1,3-噻唑-5-甲酸乙酯 is C7H9NO2S.
What is the molecular weight of 4-甲基-1,3-噻唑-5-甲酸乙酯?
The molecular weight of 4-甲基-1,3-噻唑-5-甲酸乙酯 is 171.04 g/mol.
Where can I buy 4-甲基-1,3-噻唑-5-甲酸乙酯?
You can request a quote for 4-甲基-1,3-噻唑-5-甲酸乙酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-甲基-1,3-噻唑-5-甲酸乙酯?
Yes, KEHONG BIO provides custom synthesis services for 4-甲基-1,3-噻唑-5-甲酸乙酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.