3-Thiophenecarboxylic acid, 5-methyl-2-(phenylethynyl)-
TL;DR: 3-Thiophenecarboxylic acid, 5-methyl-2-(phenylethynyl)- (CAS 89556-17-2) is a chemical compound with molecular formula C14H10O2S and molecular weight 242.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methyl-2-(2-phenylethynyl)thiophene-3-carboxylic acid
Also Known As: Thiophene,3-bromo-2-iodo-5-methyl, 3-Thiophenecarboxylic acid, 5-methyl-2-(phenylethynyl)-, 5-methyl-2-(2-phenylethynyl)thiophene-3-carboxylic Acid, AI-472/32218020, 5-methyl-2-(phenylethynyl)-3-thiophenecarboxylic acid
| Molecular Formula | C14H10O2S |
|---|---|
| Molecular Weight | 242.04 g/mol |
| LogP | 3.15452 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 242.04015 |
| Heavy Atoms | 17 |
| Complexity | 600.1427 |
Chemical Identifiers
| CAS Number | 89556-17-2 |
|---|---|
| SMILES | CC1=CC(=C(S1)C#CC2=CC=CC=C2)C(=O)O |
Product Overview
3-Thiophenecarboxylic acid, 5-methyl-2-(phenylethynyl)- (CAS 89556-17-2), with molecular formula C14H10O2S and molecular weight 242.04 g/mol. IUPAC: 5-methyl-2-(2-phenylethynyl)thiophene-3-carboxylic acid.
Chemical Property Profile of 3-Thiophenecarboxylic acid, 5-methyl-2-(phenylethynyl)-
Property Insights of 3-Thiophenecarboxylic acid, 5-methyl-2-(phenylethynyl)-
The XLogP value of 3.15452 indicates that 3-Thiophenecarboxylic acid, 5-methyl-2-(phenylethynyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, 3-Thiophenecarboxylic acid, 5-methyl-2-(phenylethynyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Thiophenecarboxylic acid, 5-methyl-2-(phenylethynyl)- 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-Thiophenecarboxylic acid, 5-methyl-2-(phenylethynyl)-?
The CAS number of 3-Thiophenecarboxylic acid, 5-methyl-2-(phenylethynyl)- is 89556-17-2.
What is the molecular formula of 3-Thiophenecarboxylic acid, 5-methyl-2-(phenylethynyl)-?
The molecular formula of 3-Thiophenecarboxylic acid, 5-methyl-2-(phenylethynyl)- is C14H10O2S.
What is the molecular weight of 3-Thiophenecarboxylic acid, 5-methyl-2-(phenylethynyl)-?
The molecular weight of 3-Thiophenecarboxylic acid, 5-methyl-2-(phenylethynyl)- is 242.04 g/mol.
Where can I buy 3-Thiophenecarboxylic acid, 5-methyl-2-(phenylethynyl)-?
You can request a quote for 3-Thiophenecarboxylic acid, 5-methyl-2-(phenylethynyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Thiophenecarboxylic acid, 5-methyl-2-(phenylethynyl)-?
Yes, KEHONG BIO provides custom synthesis services for 3-Thiophenecarboxylic acid, 5-methyl-2-(phenylethynyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.