Ethyl 2-(4-oxo-4,5-dihydrothiazol-2-yl)acetate
TL;DR: Ethyl 2-(4-oxo-4,5-dihydrothiazol-2-yl)acetate (CAS 877-87-2) is a chemical compound with molecular formula C7H9NO3S and molecular weight 187.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(4-oxo-1,3-thiazol-2-yl)acetate
Also Known As: Maybridge4_003503, ethyl 2-(4-oxo-1,3-thiazol-2-yl)acetate, ethyl 2-(4-oxo-4,5-dihydrothiazol-2-yl)acetate, J2.033.306E, 4,5-Dihydro-4-oxothiazole-2-acetic acid ethyl ester
| Molecular Formula | C7H9NO3S |
|---|---|
| Molecular Weight | 187.03 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 81.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 187.03032 |
| Heavy Atoms | 12 |
| Complexity | 237.0 |
Chemical Identifiers
| CAS Number | 877-87-2 |
|---|---|
| SMILES | CCOC(=O)CC1=NC(=O)CS1 |
| InChIKey | DMZWRKICECSJQS-UHFFFAOYSA-N |
Product Overview
Ethyl 2-(4-oxo-4,5-dihydrothiazol-2-yl)acetate (CAS 877-87-2), with molecular formula C7H9NO3S and molecular weight 187.03 g/mol. IUPAC: ethyl 2-(4-oxo-1,3-thiazol-2-yl)acetate.
Chemical Property Profile of Ethyl 2-(4-oxo-4,5-dihydrothiazol-2-yl)acetate
Property Insights of Ethyl 2-(4-oxo-4,5-dihydrothiazol-2-yl)acetate
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-(4-oxo-4,5-dihydrothiazol-2-yl)acetate. The TPSA of 81.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-(4-oxo-4,5-dihydrothiazol-2-yl)acetate. Following Lipinski's Rule of Five, Ethyl 2-(4-oxo-4,5-dihydrothiazol-2-yl)acetate 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 Ethyl 2-(4-oxo-4,5-dihydrothiazol-2-yl)acetate?
The CAS number of Ethyl 2-(4-oxo-4,5-dihydrothiazol-2-yl)acetate is 877-87-2.
What is the molecular formula of Ethyl 2-(4-oxo-4,5-dihydrothiazol-2-yl)acetate?
The molecular formula of Ethyl 2-(4-oxo-4,5-dihydrothiazol-2-yl)acetate is C7H9NO3S.
What is the molecular weight of Ethyl 2-(4-oxo-4,5-dihydrothiazol-2-yl)acetate?
The molecular weight of Ethyl 2-(4-oxo-4,5-dihydrothiazol-2-yl)acetate is 187.03 g/mol.
Where can I buy Ethyl 2-(4-oxo-4,5-dihydrothiazol-2-yl)acetate?
You can request a quote for Ethyl 2-(4-oxo-4,5-dihydrothiazol-2-yl)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-(4-oxo-4,5-dihydrothiazol-2-yl)acetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-(4-oxo-4,5-dihydrothiazol-2-yl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.