(E)-4-((3-cyano-4,5-dimethylthiophen-2-yl)amino)-4-oxobut-2-enoic acid
TL;DR: (E)-4-((3-cyano-4,5-dimethylthiophen-2-yl)amino)-4-oxobut-2-enoic acid (CAS 321966-87-4) is a chemical compound with molecular formula C11H10N2O3S and molecular weight 250.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-4-[(3-cyano-4,5-dimethylthiophen-2-yl)amino]-4-oxobut-2-enoic acid
Also Known As: (2E)-3-[(3-CYANO-4,5-DIMETHYLTHIOPHEN-2-YL)CARBAMOYL]PROP-2-ENOIC ACID, (E)-4-((3-cyano-4,5-dimethylthiophen-2-yl)amino)-4-oxobut-2-enoic acid, F0777-0399, (E)-4-[(3-cyano-4,5-dimethylthiophen-2-yl)amino]-4-oxobut-2-enoic acid, (2E)-4-[(3-CYANO-4,5-DIMETHYL-2-THIENYL)AMINO]-4-OXO-2-BUTENOIC ACID
| Molecular Formula | C11H10N2O3S |
|---|---|
| Molecular Weight | 250.04 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 118.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 250.04121 |
| Heavy Atoms | 17 |
| Complexity | 399.0 |
Chemical Identifiers
| CAS Number | 321966-87-4 |
|---|---|
| SMILES | CC1=C(SC(=C1C#N)NC(=O)/C=C/C(=O)O)C |
| InChIKey | XPBVVJQMUUACRY-ONEGZZNKSA-N |
Product Overview
(E)-4-((3-cyano-4,5-dimethylthiophen-2-yl)amino)-4-oxobut-2-enoic acid (CAS 321966-87-4), with molecular formula C11H10N2O3S and molecular weight 250.04 g/mol. IUPAC: (E)-4-[(3-cyano-4,5-dimethylthiophen-2-yl)amino]-4-oxobut-2-enoic acid.
Chemical Property Profile of (E)-4-((3-cyano-4,5-dimethylthiophen-2-yl)amino)-4-oxobut-2-enoic acid
Property Insights of (E)-4-((3-cyano-4,5-dimethylthiophen-2-yl)amino)-4-oxobut-2-enoic acid
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-4-((3-cyano-4,5-dimethylthiophen-2-yl)amino)-4-oxobut-2-enoic acid. The TPSA of 118.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-4-((3-cyano-4,5-dimethylthiophen-2-yl)amino)-4-oxobut-2-enoic acid. Following Lipinski's Rule of Five, (E)-4-((3-cyano-4,5-dimethylthiophen-2-yl)amino)-4-oxobut-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-((3-cyano-4,5-dimethylthiophen-2-yl)amino)-4-oxobut-2-enoic acid?
The CAS number of (E)-4-((3-cyano-4,5-dimethylthiophen-2-yl)amino)-4-oxobut-2-enoic acid is 321966-87-4.
What is the molecular formula of (E)-4-((3-cyano-4,5-dimethylthiophen-2-yl)amino)-4-oxobut-2-enoic acid?
The molecular formula of (E)-4-((3-cyano-4,5-dimethylthiophen-2-yl)amino)-4-oxobut-2-enoic acid is C11H10N2O3S.
What is the molecular weight of (E)-4-((3-cyano-4,5-dimethylthiophen-2-yl)amino)-4-oxobut-2-enoic acid?
The molecular weight of (E)-4-((3-cyano-4,5-dimethylthiophen-2-yl)amino)-4-oxobut-2-enoic acid is 250.04 g/mol.
Where can I buy (E)-4-((3-cyano-4,5-dimethylthiophen-2-yl)amino)-4-oxobut-2-enoic acid?
You can request a quote for (E)-4-((3-cyano-4,5-dimethylthiophen-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-((3-cyano-4,5-dimethylthiophen-2-yl)amino)-4-oxobut-2-enoic acid?
Yes, KEHONG BIO provides custom synthesis services for (E)-4-((3-cyano-4,5-dimethylthiophen-2-yl)amino)-4-oxobut-2-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.