4-(2,5-Dimethylthien-3-yl)-4-oxobutanoic acid
TL;DR: 4-(2,5-Dimethylthien-3-yl)-4-oxobutanoic acid (CAS 6007-77-8) is a chemical compound with molecular formula C10H12O3S and molecular weight 212.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2,5-dimethylthiophen-3-yl)-4-oxobutanoic acid
Also Known As: 4-(2,5-dimethylthiophen-3-yl)-4-oxobutanoic acid, 4-(2,5-dimethylthien-3-yl)-4-oxobutanoic acid, 2-CHLOROQUINOXALIN-6-AMINE, AB01332534-02, 4-(2,5-dimethyl(3-thienyl))-4-oxobutanoic acid
| Molecular Formula | C10H12O3S |
|---|---|
| Molecular Weight | 212.05 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 82.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 212.05072 |
| Heavy Atoms | 14 |
| Complexity | 240.0 |
Chemical Identifiers
| CAS Number | 6007-77-8 |
|---|---|
| SMILES | CC1=CC(=C(S1)C)C(=O)CCC(=O)O |
| InChIKey | KGHDSIBUTCYURM-UHFFFAOYSA-N |
Product Overview
4-(2,5-Dimethylthien-3-yl)-4-oxobutanoic acid (CAS 6007-77-8), with molecular formula C10H12O3S and molecular weight 212.05 g/mol. IUPAC: 4-(2,5-dimethylthiophen-3-yl)-4-oxobutanoic acid.
Chemical Property Profile of 4-(2,5-Dimethylthien-3-yl)-4-oxobutanoic acid
Property Insights of 4-(2,5-Dimethylthien-3-yl)-4-oxobutanoic acid
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(2,5-Dimethylthien-3-yl)-4-oxobutanoic acid. The TPSA of 82.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(2,5-Dimethylthien-3-yl)-4-oxobutanoic acid. Following Lipinski's Rule of Five, 4-(2,5-Dimethylthien-3-yl)-4-oxobutanoic acid has 1 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 4-(2,5-Dimethylthien-3-yl)-4-oxobutanoic acid?
The CAS number of 4-(2,5-Dimethylthien-3-yl)-4-oxobutanoic acid is 6007-77-8.
What is the molecular formula of 4-(2,5-Dimethylthien-3-yl)-4-oxobutanoic acid?
The molecular formula of 4-(2,5-Dimethylthien-3-yl)-4-oxobutanoic acid is C10H12O3S.
What is the molecular weight of 4-(2,5-Dimethylthien-3-yl)-4-oxobutanoic acid?
The molecular weight of 4-(2,5-Dimethylthien-3-yl)-4-oxobutanoic acid is 212.05 g/mol.
Where can I buy 4-(2,5-Dimethylthien-3-yl)-4-oxobutanoic acid?
You can request a quote for 4-(2,5-Dimethylthien-3-yl)-4-oxobutanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(2,5-Dimethylthien-3-yl)-4-oxobutanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(2,5-Dimethylthien-3-yl)-4-oxobutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.