4,4'-(Hydroxymethylene)dibenzoic acid
TL;DR: 4,4'-(Hydroxymethylene)dibenzoic acid (CAS 3987-55-1) is a chemical compound with molecular formula C15H12O5 and molecular weight 272.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(4-carboxyphenyl)-hydroxymethyl]benzoic acid
Also Known As: 4,4'-Dicarboxybenzhydrol, 4,4'-(hydroxymethylene)dibenzoic acid, 1,1'-bis(4-carboxyphenyl)methanol, 4,4'-(Hydroxymethylene)dibenzoicacid, 4,4 -Hydroxymethylenebisbenzoic acid
| Molecular Formula | C15H12O5 |
|---|---|
| Molecular Weight | 272.07 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 94.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 272.06848 |
| Heavy Atoms | 20 |
| Complexity | 317.0 |
Chemical Identifiers
| CAS Number | 3987-55-1 |
|---|---|
| SMILES | C1=CC(=CC=C1C(C2=CC=C(C=C2)C(=O)O)O)C(=O)O |
| InChIKey | NMAYQOHIMPTMGC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4,4'-(Hydroxymethylene)dibenzoic acid (CAS 3987-55-1), with molecular formula C15H12O5 and molecular weight 272.07 g/mol. IUPAC: 4-[(4-carboxyphenyl)-hydroxymethyl]benzoic acid.
Chemical Property Profile of 4,4'-(Hydroxymethylene)dibenzoic acid
Property Insights of 4,4'-(Hydroxymethylene)dibenzoic acid
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,4'-(Hydroxymethylene)dibenzoic acid. The TPSA of 94.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,4'-(Hydroxymethylene)dibenzoic acid. Following Lipinski's Rule of Five, 4,4'-(Hydroxymethylene)dibenzoic acid has 3 hydrogen bond donor(s) and 5 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 4,4'-(Hydroxymethylene)dibenzoic acid?
The CAS number of 4,4'-(Hydroxymethylene)dibenzoic acid is 3987-55-1.
What is the molecular formula of 4,4'-(Hydroxymethylene)dibenzoic acid?
The molecular formula of 4,4'-(Hydroxymethylene)dibenzoic acid is C15H12O5.
What is the molecular weight of 4,4'-(Hydroxymethylene)dibenzoic acid?
The molecular weight of 4,4'-(Hydroxymethylene)dibenzoic acid is 272.07 g/mol.
Where can I buy 4,4'-(Hydroxymethylene)dibenzoic acid?
You can request a quote for 4,4'-(Hydroxymethylene)dibenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,4'-(Hydroxymethylene)dibenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4,4'-(Hydroxymethylene)dibenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.