3-(2,5-Dimethyl-3-thienyl)-2-propenoic acid
TL;DR: 3-(2,5-Dimethyl-3-thienyl)-2-propenoic acid (CAS 257946-36-4) is a chemical compound with molecular formula C9H10O2S and molecular weight 182.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2,5-dimethylthiophen-3-yl)prop-2-enoic acid
Also Known As: 3-(2,5-dimethylthiophen-3-yl)prop-2-enoic Acid, 3-(2,5-dimethyl-3-thienyl)acrylic acid, 3-(2,5-Dimethyl-3-thienyl)-2-propenoic acid, 3-(2,5-Dimethylthiophen-3-yl)acrylic acid
| Molecular Formula | C9H10O2S |
|---|---|
| Molecular Weight | 182.04 g/mol |
| LogP | 2.46274 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 182.04015 |
| Heavy Atoms | 12 |
| Complexity | 323.26956 |
Chemical Identifiers
| CAS Number | 257946-36-4 |
|---|---|
| SMILES | CC1=CC(=C(S1)C)C=CC(=O)O |
Product Overview
3-(2,5-Dimethyl-3-thienyl)-2-propenoic acid (CAS 257946-36-4), with molecular formula C9H10O2S and molecular weight 182.04 g/mol. IUPAC: 3-(2,5-dimethylthiophen-3-yl)prop-2-enoic acid.
Chemical Property Profile of 3-(2,5-Dimethyl-3-thienyl)-2-propenoic acid
Property Insights of 3-(2,5-Dimethyl-3-thienyl)-2-propenoic acid
The XLogP value of 2.46274 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(2,5-Dimethyl-3-thienyl)-2-propenoic acid. With a topological polar surface area (TPSA) of 37.3 Ų, 3-(2,5-Dimethyl-3-thienyl)-2-propenoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(2,5-Dimethyl-3-thienyl)-2-propenoic acid has 1 hydrogen bond donor(s) and 2 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-(2,5-Dimethyl-3-thienyl)-2-propenoic acid?
The CAS number of 3-(2,5-Dimethyl-3-thienyl)-2-propenoic acid is 257946-36-4.
What is the molecular formula of 3-(2,5-Dimethyl-3-thienyl)-2-propenoic acid?
The molecular formula of 3-(2,5-Dimethyl-3-thienyl)-2-propenoic acid is C9H10O2S.
What is the molecular weight of 3-(2,5-Dimethyl-3-thienyl)-2-propenoic acid?
The molecular weight of 3-(2,5-Dimethyl-3-thienyl)-2-propenoic acid is 182.04 g/mol.
Where can I buy 3-(2,5-Dimethyl-3-thienyl)-2-propenoic acid?
You can request a quote for 3-(2,5-Dimethyl-3-thienyl)-2-propenoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2,5-Dimethyl-3-thienyl)-2-propenoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(2,5-Dimethyl-3-thienyl)-2-propenoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.