4-Carboxybenzyl alcohol
TL;DR: 4-Carboxybenzyl alcohol (CAS 96937-45-0) is a chemical compound with molecular formula C8H7O3- and molecular weight 151.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(hydroxymethyl)benzoate
Also Known As: 4-carboxybenzyl alcohol, 4-(hydroxymethyl)benzoate, 4-hydroxymethylbenzoate, 4-HYDROXYMETHYLBENZOIC ACID, RefChem:1070462
| Molecular Formula | C8H7O3- |
|---|---|
| Molecular Weight | 151.04 g/mol |
| LogP | -0.4576 |
| Topological Polar Surface Area | 60.36 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 151.03952 |
| Heavy Atoms | 11 |
| Complexity | 250.54462 |
Chemical Identifiers
| CAS Number | 96937-45-0 |
|---|---|
| SMILES | C1=CC(=CC=C1CO)C(=O)[O-] |
Product Overview
4-Carboxybenzyl alcohol (CAS 96937-45-0), with molecular formula C8H7O3- and molecular weight 151.04 g/mol. IUPAC: 4-(hydroxymethyl)benzoate.
Chemical Property Profile of 4-Carboxybenzyl alcohol
Property Insights of 4-Carboxybenzyl alcohol
The XLogP value of -0.4576 indicates that 4-Carboxybenzyl alcohol is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 60.36 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Carboxybenzyl alcohol. Following Lipinski's Rule of Five, 4-Carboxybenzyl alcohol 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 4-Carboxybenzyl alcohol?
The CAS number of 4-Carboxybenzyl alcohol is 96937-45-0.
What is the molecular formula of 4-Carboxybenzyl alcohol?
The molecular formula of 4-Carboxybenzyl alcohol is C8H7O3-.
What is the molecular weight of 4-Carboxybenzyl alcohol?
The molecular weight of 4-Carboxybenzyl alcohol is 151.04 g/mol.
Where can I buy 4-Carboxybenzyl alcohol?
You can request a quote for 4-Carboxybenzyl alcohol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Carboxybenzyl alcohol?
Yes, KEHONG BIO provides custom synthesis services for 4-Carboxybenzyl alcohol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.