![4-[5-(Hydroxymethyl)-2-furyl]-3-methylbenzoic acid structure](/static/products/6798/679804-70-7.webp)
4-[5-(Hydroxymethyl)-2-furyl]-3-methylbenzoic acid
TL;DR: 4-[5-(Hydroxymethyl)-2-furyl]-3-methylbenzoic acid (CAS 679804-70-7) is a chemical compound with molecular formula C13H12O4 and molecular weight 232.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[5-(hydroxymethyl)furan-2-yl]-3-methylbenzoic acid
Also Known As: 4-[5-(hydroxymethyl)-2-furyl]-3-methylbenzoic acid, 4-[5-(hydroxymethyl)furan-2-yl]-3-methylbenzoic acid, AH-487/41957379, 4-(5-(hydroxymethyl)furan-2-yl)-3-methylbenzoic acid
| Molecular Formula | C13H12O4 |
|---|---|
| Molecular Weight | 232.07 g/mol |
| LogP | 2.44552 |
| Topological Polar Surface Area | 70.67 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 232.07356 |
| Heavy Atoms | 17 |
| Complexity | 554.2971 |
Chemical Identifiers
| CAS Number | 679804-70-7 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)C(=O)O)C2=CC=C(O2)CO |
Product Overview
4-[5-(Hydroxymethyl)-2-furyl]-3-methylbenzoic acid (CAS 679804-70-7), with molecular formula C13H12O4 and molecular weight 232.07 g/mol. IUPAC: 4-[5-(hydroxymethyl)furan-2-yl]-3-methylbenzoic acid.
Chemical Property Profile of 4-[5-(Hydroxymethyl)-2-furyl]-3-methylbenzoic acid
Property Insights of 4-[5-(Hydroxymethyl)-2-furyl]-3-methylbenzoic acid
The XLogP value of 2.44552 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[5-(Hydroxymethyl)-2-furyl]-3-methylbenzoic acid. The TPSA of 70.67 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[5-(Hydroxymethyl)-2-furyl]-3-methylbenzoic acid. Following Lipinski's Rule of Five, 4-[5-(Hydroxymethyl)-2-furyl]-3-methylbenzoic acid has 2 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 4-[5-(Hydroxymethyl)-2-furyl]-3-methylbenzoic acid?
The CAS number of 4-[5-(Hydroxymethyl)-2-furyl]-3-methylbenzoic acid is 679804-70-7.
What is the molecular formula of 4-[5-(Hydroxymethyl)-2-furyl]-3-methylbenzoic acid?
The molecular formula of 4-[5-(Hydroxymethyl)-2-furyl]-3-methylbenzoic acid is C13H12O4.
What is the molecular weight of 4-[5-(Hydroxymethyl)-2-furyl]-3-methylbenzoic acid?
The molecular weight of 4-[5-(Hydroxymethyl)-2-furyl]-3-methylbenzoic acid is 232.07 g/mol.
Where can I buy 4-[5-(Hydroxymethyl)-2-furyl]-3-methylbenzoic acid?
You can request a quote for 4-[5-(Hydroxymethyl)-2-furyl]-3-methylbenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[5-(Hydroxymethyl)-2-furyl]-3-methylbenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-[5-(Hydroxymethyl)-2-furyl]-3-methylbenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.