![(E)-4-[(4-methyl-1,3-thiazol-2-yl)amino]-4-oxobut-2-enoic acid structure](/static/products/4311/4311-12-0.webp)
(E)-4-[(4-methyl-1,3-thiazol-2-yl)amino]-4-oxobut-2-enoic acid
TL;DR: (E)-4-[(4-methyl-1,3-thiazol-2-yl)amino]-4-oxobut-2-enoic acid (CAS 4311-12-0) is a chemical compound with molecular formula C8H8N2O3S and molecular weight 212.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-4-[(4-methyl-1,3-thiazol-2-yl)amino]-4-oxobut-2-enoic acid
Also Known As: 2-cyanoacetamido-4-methylthiazole, 4-[(4-methyl-1,3-thiazol-2-yl)amino]-4-oxobut-2-enoic acid, (E)-4-[(4-methyl-1,3-thiazol-2-yl)amino]-4-oxobut-2-enoic acid
| Molecular Formula | C8H8N2O3S |
|---|---|
| Molecular Weight | 212.03 g/mol |
| LogP | 1.03082 |
| Topological Polar Surface Area | 79.29 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 212.02556 |
| Heavy Atoms | 14 |
| Complexity | 383.69305 |
Chemical Identifiers
| CAS Number | 4311-12-0 |
|---|---|
| SMILES | CC1=CSC(=N1)NC(=O)/C=C/C(=O)O |
Product Overview
(E)-4-[(4-methyl-1,3-thiazol-2-yl)amino]-4-oxobut-2-enoic acid (CAS 4311-12-0), with molecular formula C8H8N2O3S and molecular weight 212.03 g/mol. IUPAC: (E)-4-[(4-methyl-1,3-thiazol-2-yl)amino]-4-oxobut-2-enoic acid.
Chemical Property Profile of (E)-4-[(4-methyl-1,3-thiazol-2-yl)amino]-4-oxobut-2-enoic acid
Property Insights of (E)-4-[(4-methyl-1,3-thiazol-2-yl)amino]-4-oxobut-2-enoic acid
The XLogP value of 1.03082 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-4-[(4-methyl-1,3-thiazol-2-yl)amino]-4-oxobut-2-enoic acid. The TPSA of 79.29 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-4-[(4-methyl-1,3-thiazol-2-yl)amino]-4-oxobut-2-enoic acid. Following Lipinski's Rule of Five, (E)-4-[(4-methyl-1,3-thiazol-2-yl)amino]-4-oxobut-2-enoic acid has 2 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 (E)-4-[(4-methyl-1,3-thiazol-2-yl)amino]-4-oxobut-2-enoic acid?
The CAS number of (E)-4-[(4-methyl-1,3-thiazol-2-yl)amino]-4-oxobut-2-enoic acid is 4311-12-0.
What is the molecular formula of (E)-4-[(4-methyl-1,3-thiazol-2-yl)amino]-4-oxobut-2-enoic acid?
The molecular formula of (E)-4-[(4-methyl-1,3-thiazol-2-yl)amino]-4-oxobut-2-enoic acid is C8H8N2O3S.
What is the molecular weight of (E)-4-[(4-methyl-1,3-thiazol-2-yl)amino]-4-oxobut-2-enoic acid?
The molecular weight of (E)-4-[(4-methyl-1,3-thiazol-2-yl)amino]-4-oxobut-2-enoic acid is 212.03 g/mol.
Where can I buy (E)-4-[(4-methyl-1,3-thiazol-2-yl)amino]-4-oxobut-2-enoic acid?
You can request a quote for (E)-4-[(4-methyl-1,3-thiazol-2-yl)amino]-4-oxobut-2-enoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-4-[(4-methyl-1,3-thiazol-2-yl)amino]-4-oxobut-2-enoic acid?
Yes, KEHONG BIO provides custom synthesis services for (E)-4-[(4-methyl-1,3-thiazol-2-yl)amino]-4-oxobut-2-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.