4-(5-Hydroxymethyl-furan-2-yl)-benzoic acid
TL;DR: 4-(5-Hydroxymethyl-furan-2-yl)-benzoic acid (CAS 53782-69-7) is a chemical compound with molecular formula C12H10O4 and molecular weight 218.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[5-(hydroxymethyl)furan-2-yl]benzoic acid
Also Known As: 4-(5-Hydroxymethyl-furan-2-yl)-benzoic acid, Chloroacetyl-L-leucine, 4-[5-(hydroxymethyl)furan-2-yl]benzoic acid, 4-[5-(hydroxymethyl)-2-furyl]benzoic acid, 4-(5-(Hydroxymethyl)furan-2-yl)benzoic acid
| Molecular Formula | C12H10O4 |
|---|---|
| Molecular Weight | 218.06 g/mol |
| LogP | 2.1371 |
| Topological Polar Surface Area | 70.67 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 218.0579 |
| Heavy Atoms | 16 |
| Complexity | 495.99225 |
Chemical Identifiers
| CAS Number | 53782-69-7 |
|---|---|
| SMILES | C1=CC(=CC=C1C2=CC=C(O2)CO)C(=O)O |
Product Overview
4-(5-Hydroxymethyl-furan-2-yl)-benzoic acid (CAS 53782-69-7), with molecular formula C12H10O4 and molecular weight 218.06 g/mol. IUPAC: 4-[5-(hydroxymethyl)furan-2-yl]benzoic acid.
Chemical Property Profile of 4-(5-Hydroxymethyl-furan-2-yl)-benzoic acid
Property Insights of 4-(5-Hydroxymethyl-furan-2-yl)-benzoic acid
The XLogP value of 2.1371 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(5-Hydroxymethyl-furan-2-yl)-benzoic acid. The TPSA of 70.67 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(5-Hydroxymethyl-furan-2-yl)-benzoic acid. Following Lipinski's Rule of Five, 4-(5-Hydroxymethyl-furan-2-yl)-benzoic 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-furan-2-yl)-benzoic acid?
The CAS number of 4-(5-Hydroxymethyl-furan-2-yl)-benzoic acid is 53782-69-7.
What is the molecular formula of 4-(5-Hydroxymethyl-furan-2-yl)-benzoic acid?
The molecular formula of 4-(5-Hydroxymethyl-furan-2-yl)-benzoic acid is C12H10O4.
What is the molecular weight of 4-(5-Hydroxymethyl-furan-2-yl)-benzoic acid?
The molecular weight of 4-(5-Hydroxymethyl-furan-2-yl)-benzoic acid is 218.06 g/mol.
Where can I buy 4-(5-Hydroxymethyl-furan-2-yl)-benzoic acid?
You can request a quote for 4-(5-Hydroxymethyl-furan-2-yl)-benzoic 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-furan-2-yl)-benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(5-Hydroxymethyl-furan-2-yl)-benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.