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Ethyl 2-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]acetate
TL;DR: Ethyl 2-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]acetate (CAS 442659-72-5) is a chemical compound with molecular formula C16H13NO4S and molecular weight 315.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]acetate
Also Known As: ethyl 2-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]acetate, A2802/0118432, ethyl 2-(4-(2-oxo-2H-chromen-3-yl)thiazol-2-yl)acetate, [4-(2-Oxo-2H-chromen-3-yl)-thiazol-2-yl]-acetic acid ethyl ester, Ethyl [4-(2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]acetate #
| Molecular Formula | C16H13NO4S |
|---|---|
| Molecular Weight | 315.06 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 93.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 315.05652 |
| Heavy Atoms | 22 |
| Complexity | 479.0 |
Chemical Identifiers
| CAS Number | 442659-72-5 |
|---|---|
| SMILES | CCOC(=O)CC1=NC(=CS1)C2=CC3=CC=CC=C3OC2=O |
| InChIKey | CWCCYYRZHKNSLR-UHFFFAOYSA-N |
Product Overview
Ethyl 2-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]acetate (CAS 442659-72-5), with molecular formula C16H13NO4S and molecular weight 315.06 g/mol. IUPAC: ethyl 2-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]acetate.
Chemical Property Profile of Ethyl 2-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]acetate
Property Insights of Ethyl 2-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]acetate
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]acetate. The TPSA of 93.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]acetate. Following Lipinski's Rule of Five, Ethyl 2-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]acetate has 0 hydrogen bond donor(s) and 6 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-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]acetate?
The CAS number of Ethyl 2-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]acetate is 442659-72-5.
What is the molecular formula of Ethyl 2-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]acetate?
The molecular formula of Ethyl 2-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]acetate is C16H13NO4S.
What is the molecular weight of Ethyl 2-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]acetate?
The molecular weight of Ethyl 2-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]acetate is 315.06 g/mol.
Where can I buy Ethyl 2-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]acetate?
You can request a quote for Ethyl 2-[4-(2-oxochromen-3-yl)-1,3-thiazol-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-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]acetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.