3-(Thiazol-2-ylcarbamoyl)-acrylic acid ethyl ester
TL;DR: 3-(Thiazol-2-ylcarbamoyl)-acrylic acid ethyl ester (CAS 52207-65-5) is a chemical compound with molecular formula C9H10N2O3S and molecular weight 226.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (E)-4-oxo-4-(1,3-thiazol-2-ylamino)but-2-enoate
Also Known As: BAS 00836287, 3-(Thiazol-2-ylcarbamoyl)-acrylic acid ethyl ester, ETHYL (2E)-3-[(1,3-THIAZOL-2-YL)CARBAMOYL]PROP-2-ENOATE, ethyl (E)-4-oxo-4-(1,3-thiazol-2-ylamino)but-2-enoate, (E)-ethyl 4-oxo-4-(thiazol-2-ylamino)but-2-enoate
| Molecular Formula | C9H10N2O3S |
|---|---|
| Molecular Weight | 226.04 g/mol |
| LogP | 1.2009 |
| Topological Polar Surface Area | 68.29 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 226.04121 |
| Heavy Atoms | 15 |
| Complexity | 359.44418 |
Chemical Identifiers
| CAS Number | 52207-65-5 |
|---|---|
| SMILES | CCOC(=O)/C=C/C(=O)NC1=NC=CS1 |
Product Overview
3-(Thiazol-2-ylcarbamoyl)-acrylic acid ethyl ester (CAS 52207-65-5), with molecular formula C9H10N2O3S and molecular weight 226.04 g/mol. IUPAC: ethyl (E)-4-oxo-4-(1,3-thiazol-2-ylamino)but-2-enoate.
Chemical Property Profile of 3-(Thiazol-2-ylcarbamoyl)-acrylic acid ethyl ester
Property Insights of 3-(Thiazol-2-ylcarbamoyl)-acrylic acid ethyl ester
The XLogP value of 1.2009 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Thiazol-2-ylcarbamoyl)-acrylic acid ethyl ester. The TPSA of 68.29 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(Thiazol-2-ylcarbamoyl)-acrylic acid ethyl ester. Following Lipinski's Rule of Five, 3-(Thiazol-2-ylcarbamoyl)-acrylic acid ethyl ester 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 3-(Thiazol-2-ylcarbamoyl)-acrylic acid ethyl ester?
The CAS number of 3-(Thiazol-2-ylcarbamoyl)-acrylic acid ethyl ester is 52207-65-5.
What is the molecular formula of 3-(Thiazol-2-ylcarbamoyl)-acrylic acid ethyl ester?
The molecular formula of 3-(Thiazol-2-ylcarbamoyl)-acrylic acid ethyl ester is C9H10N2O3S.
What is the molecular weight of 3-(Thiazol-2-ylcarbamoyl)-acrylic acid ethyl ester?
The molecular weight of 3-(Thiazol-2-ylcarbamoyl)-acrylic acid ethyl ester is 226.04 g/mol.
Where can I buy 3-(Thiazol-2-ylcarbamoyl)-acrylic acid ethyl ester?
You can request a quote for 3-(Thiazol-2-ylcarbamoyl)-acrylic acid ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Thiazol-2-ylcarbamoyl)-acrylic acid ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 3-(Thiazol-2-ylcarbamoyl)-acrylic acid ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.