(E)-4-oxo-4-(thiazol-2-ylamino)but-2-enoic acid
TL;DR: (E)-4-oxo-4-(thiazol-2-ylamino)but-2-enoic acid (CAS 22721-36-4) is a chemical compound with molecular formula C7H6N2O3S and molecular weight 198.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-4-oxo-4-(1,3-thiazol-2-ylamino)but-2-enoic acid
Also Known As: (E)-4-oxo-4-(thiazol-2-ylamino)but-2-enoic acid, 3-(Thiazol-2-ylcarbamoyl)-acrylic acid, 4-oxo-4-(1,3-thiazol-2-ylamino)but-2-enoic acid, IDI1_017077, (Z)-4-OXO-4-(THIAZOL-2-YLAMINO)BUT-2-ENOIC ACID
| Molecular Formula | C7H6N2O3S |
|---|---|
| Molecular Weight | 198.01 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 108.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 198.00992 |
| Heavy Atoms | 13 |
| Complexity | 242.0 |
Chemical Identifiers
| CAS Number | 22721-36-4 |
|---|---|
| SMILES | C1=CSC(=N1)NC(=O)/C=C/C(=O)O |
| InChIKey | UUHHOCIQPDUBSP-OWOJBTEDSA-N |
Product Overview
(E)-4-oxo-4-(thiazol-2-ylamino)but-2-enoic acid (CAS 22721-36-4), with molecular formula C7H6N2O3S and molecular weight 198.01 g/mol. IUPAC: (E)-4-oxo-4-(1,3-thiazol-2-ylamino)but-2-enoic acid.
Chemical Property Profile of (E)-4-oxo-4-(thiazol-2-ylamino)but-2-enoic acid
Property Insights of (E)-4-oxo-4-(thiazol-2-ylamino)but-2-enoic acid
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-4-oxo-4-(thiazol-2-ylamino)but-2-enoic acid. The TPSA of 108.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-4-oxo-4-(thiazol-2-ylamino)but-2-enoic acid. Following Lipinski's Rule of Five, (E)-4-oxo-4-(thiazol-2-ylamino)but-2-enoic acid has 2 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 (E)-4-oxo-4-(thiazol-2-ylamino)but-2-enoic acid?
The CAS number of (E)-4-oxo-4-(thiazol-2-ylamino)but-2-enoic acid is 22721-36-4.
What is the molecular formula of (E)-4-oxo-4-(thiazol-2-ylamino)but-2-enoic acid?
The molecular formula of (E)-4-oxo-4-(thiazol-2-ylamino)but-2-enoic acid is C7H6N2O3S.
What is the molecular weight of (E)-4-oxo-4-(thiazol-2-ylamino)but-2-enoic acid?
The molecular weight of (E)-4-oxo-4-(thiazol-2-ylamino)but-2-enoic acid is 198.01 g/mol.
Where can I buy (E)-4-oxo-4-(thiazol-2-ylamino)but-2-enoic acid?
You can request a quote for (E)-4-oxo-4-(thiazol-2-ylamino)but-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-oxo-4-(thiazol-2-ylamino)but-2-enoic acid?
Yes, KEHONG BIO provides custom synthesis services for (E)-4-oxo-4-(thiazol-2-ylamino)but-2-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.