![3-{[2-Chloro-4-(hydroxymethyl)phenoxy]methyl}benzoic acid structure](/static/products/6937/693795-82-3.webp)
3-{[2-Chloro-4-(hydroxymethyl)phenoxy]methyl}benzoic acid
TL;DR: 3-{[2-Chloro-4-(hydroxymethyl)phenoxy]methyl}benzoic acid (CAS 693795-82-3) is a chemical compound with molecular formula C15H13ClO4 and molecular weight 292.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[2-chloro-4-(hydroxymethyl)phenoxy]methyl]benzoic acid
Also Known As: CBKinase1_003472, CBKinase1_015872, 3-{[2-chloro-4-(hydroxymethyl)phenoxy]methyl}benzoic acid, 3-[[2-chloro-4-(hydroxymethyl)phenoxy]methyl]benzoic acid, 3-((2-Chloro-4-(hydroxymethyl)phenoxy)methyl)benzoic acid
| Molecular Formula | C15H13ClO4 |
|---|---|
| Molecular Weight | 292.05 g/mol |
| LogP | 3.1095 |
| Topological Polar Surface Area | 66.76 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 292.05023 |
| Heavy Atoms | 20 |
| Complexity | 625.0206 |
Chemical Identifiers
| CAS Number | 693795-82-3 |
|---|---|
| SMILES | C1=CC(=CC(=C1)C(=O)O)COC2=C(C=C(C=C2)CO)Cl |
Product Overview
3-{[2-Chloro-4-(hydroxymethyl)phenoxy]methyl}benzoic acid (CAS 693795-82-3), with molecular formula C15H13ClO4 and molecular weight 292.05 g/mol. IUPAC: 3-[[2-chloro-4-(hydroxymethyl)phenoxy]methyl]benzoic acid.
Chemical Property Profile of 3-{[2-Chloro-4-(hydroxymethyl)phenoxy]methyl}benzoic acid
Property Insights of 3-{[2-Chloro-4-(hydroxymethyl)phenoxy]methyl}benzoic acid
The XLogP value of 3.1095 indicates that 3-{[2-Chloro-4-(hydroxymethyl)phenoxy]methyl}benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.76 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-{[2-Chloro-4-(hydroxymethyl)phenoxy]methyl}benzoic acid. Following Lipinski's Rule of Five, 3-{[2-Chloro-4-(hydroxymethyl)phenoxy]methyl}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 3-{[2-Chloro-4-(hydroxymethyl)phenoxy]methyl}benzoic acid?
The CAS number of 3-{[2-Chloro-4-(hydroxymethyl)phenoxy]methyl}benzoic acid is 693795-82-3.
What is the molecular formula of 3-{[2-Chloro-4-(hydroxymethyl)phenoxy]methyl}benzoic acid?
The molecular formula of 3-{[2-Chloro-4-(hydroxymethyl)phenoxy]methyl}benzoic acid is C15H13ClO4.
What is the molecular weight of 3-{[2-Chloro-4-(hydroxymethyl)phenoxy]methyl}benzoic acid?
The molecular weight of 3-{[2-Chloro-4-(hydroxymethyl)phenoxy]methyl}benzoic acid is 292.05 g/mol.
Where can I buy 3-{[2-Chloro-4-(hydroxymethyl)phenoxy]methyl}benzoic acid?
You can request a quote for 3-{[2-Chloro-4-(hydroxymethyl)phenoxy]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-{[2-Chloro-4-(hydroxymethyl)phenoxy]methyl}benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-{[2-Chloro-4-(hydroxymethyl)phenoxy]methyl}benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.