3-(5-Formyl-furan-2-yl)-2-methyl-benzoic acid
TL;DR: 3-(5-Formyl-furan-2-yl)-2-methyl-benzoic acid (CAS 462068-41-3) is a chemical compound with molecular formula C13H10O4 and molecular weight 230.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(5-formylfuran-2-yl)-2-methylbenzoic acid
Also Known As: 3-(5-Formyl-furan-2-yl)-2-methyl-benzoic acid, BAS 02895296, 3-(5-formylfuran-2-yl)-2-methylbenzoic acid, 3-(5-formyl-2-furyl)-2-methylbenzoic acid, BB 0245018
| Molecular Formula | C13H10O4 |
|---|---|
| Molecular Weight | 230.06 g/mol |
| LogP | 2.76572 |
| Topological Polar Surface Area | 67.51 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 230.0579 |
| Heavy Atoms | 17 |
| Complexity | 580.85547 |
Chemical Identifiers
| CAS Number | 462068-41-3 |
|---|---|
| SMILES | CC1=C(C=CC=C1C(=O)O)C2=CC=C(O2)C=O |
Product Overview
3-(5-Formyl-furan-2-yl)-2-methyl-benzoic acid (CAS 462068-41-3), with molecular formula C13H10O4 and molecular weight 230.06 g/mol. IUPAC: 3-(5-formylfuran-2-yl)-2-methylbenzoic acid.
Chemical Property Profile of 3-(5-Formyl-furan-2-yl)-2-methyl-benzoic acid
Property Insights of 3-(5-Formyl-furan-2-yl)-2-methyl-benzoic acid
The XLogP value of 2.76572 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(5-Formyl-furan-2-yl)-2-methyl-benzoic acid. The TPSA of 67.51 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(5-Formyl-furan-2-yl)-2-methyl-benzoic acid. Following Lipinski's Rule of Five, 3-(5-Formyl-furan-2-yl)-2-methyl-benzoic acid has 1 hydrogen bond donor(s) and 3 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-(5-Formyl-furan-2-yl)-2-methyl-benzoic acid?
The CAS number of 3-(5-Formyl-furan-2-yl)-2-methyl-benzoic acid is 462068-41-3.
What is the molecular formula of 3-(5-Formyl-furan-2-yl)-2-methyl-benzoic acid?
The molecular formula of 3-(5-Formyl-furan-2-yl)-2-methyl-benzoic acid is C13H10O4.
What is the molecular weight of 3-(5-Formyl-furan-2-yl)-2-methyl-benzoic acid?
The molecular weight of 3-(5-Formyl-furan-2-yl)-2-methyl-benzoic acid is 230.06 g/mol.
Where can I buy 3-(5-Formyl-furan-2-yl)-2-methyl-benzoic acid?
You can request a quote for 3-(5-Formyl-furan-2-yl)-2-methyl-benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(5-Formyl-furan-2-yl)-2-methyl-benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(5-Formyl-furan-2-yl)-2-methyl-benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.