3-(5-methoxycarbonylthiophen-2-yl)benzoic Acid
TL;DR: 3-(5-methoxycarbonylthiophen-2-yl)benzoic Acid (CAS 1024449-34-0) is a chemical compound with molecular formula C13H10O4S and molecular weight 262.02997 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(5-methoxycarbonylthiophen-2-yl)benzoic acid
Also Known As: 3-(5-methoxycarbonylthiophen-2-yl)benzoic Acid, 3-(5-(METHOXYCARBONYL)THIOPHEN-2-YL)BENZOIC ACID, 3-[5-(METHOXYCARBONYL)THIOPHEN-2-YL]BENZOIC ACID, 2-thiophenecarboxylic acid, 5-(3-carboxyphenyl), 2-methyl ester
Technical Specifications
| Molecular Formula | C13H10O4S |
| Molecular Weight | 262.02997 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 91.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 262.02997 Da |
| Heavy Atoms | 18 |
| Complexity | 331.0 |
| SMILES | COC(=O)C1=CC=C(S1)C2=CC(=CC=C2)C(=O)O |
| InChIKey | DTIKEKKMJTXWHC-UHFFFAOYSA-N |
Chemical Property Profile of 3-(5-methoxycarbonylthiophen-2-yl)benzoic Acid
Property Insights of 3-(5-methoxycarbonylthiophen-2-yl)benzoic Acid
The XLogP value of 3.0 indicates that 3-(5-methoxycarbonylthiophen-2-yl)benzoic Acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(5-methoxycarbonylthiophen-2-yl)benzoic Acid. Following Lipinski's Rule of Five, 3-(5-methoxycarbonylthiophen-2-yl)benzoic Acid has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3-(5-methoxycarbonylthiophen-2-yl)benzoic Acid?
The CAS number of 3-(5-methoxycarbonylthiophen-2-yl)benzoic Acid is 1024449-34-0.
What is the molecular formula of 3-(5-methoxycarbonylthiophen-2-yl)benzoic Acid?
The molecular formula of 3-(5-methoxycarbonylthiophen-2-yl)benzoic Acid is C13H10O4S.
What is the molecular weight of 3-(5-methoxycarbonylthiophen-2-yl)benzoic Acid?
The molecular weight of 3-(5-methoxycarbonylthiophen-2-yl)benzoic Acid is 262.02997 g/mol.
Where can I buy 3-(5-methoxycarbonylthiophen-2-yl)benzoic Acid?
You can request a quote for 3-(5-methoxycarbonylthiophen-2-yl)benzoic Acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-(5-methoxycarbonylthiophen-2-yl)benzoic Acid?
Yes, CoreyChem provides custom synthesis services for 3-(5-methoxycarbonylthiophen-2-yl)benzoic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.