3,5-Dichloro-4-phenylmethoxybenzoic acid
TL;DR: 3,5-Dichloro-4-phenylmethoxybenzoic acid (CAS 41490-13-5) is a chemical compound with molecular formula C14H10Cl2O3 and molecular weight 296.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5-dichloro-4-phenylmethoxybenzoic acid
Also Known As: 3,5-dichloro-4-phenylmethoxybenzoic acid, 4-(Benzyloxy)-3,5-dichlorobenzoic acid, 4-benzyloxy-3,5-dichlorobenzoic acid, 3,5-dichloro-4-benzyloxybenzoic acid, 4-benzyloxy-3,5-dichloro-benzoic acid
| Molecular Formula | C14H10Cl2O3 |
|---|---|
| Molecular Weight | 296.00 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 296.0007 |
| Heavy Atoms | 19 |
| Complexity | 293.0 |
Chemical Identifiers
| CAS Number | 41490-13-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)COC2=C(C=C(C=C2Cl)C(=O)O)Cl |
| InChIKey | GNTMPTOVLRQSBQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,5-Dichloro-4-phenylmethoxybenzoic acid (CAS 41490-13-5), with molecular formula C14H10Cl2O3 and molecular weight 296.00 g/mol. IUPAC: 3,5-dichloro-4-phenylmethoxybenzoic acid.
Chemical Property Profile of 3,5-Dichloro-4-phenylmethoxybenzoic acid
Property Insights of 3,5-Dichloro-4-phenylmethoxybenzoic acid
The XLogP value of 4.2 indicates that 3,5-Dichloro-4-phenylmethoxybenzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.5 Ų, 3,5-Dichloro-4-phenylmethoxybenzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,5-Dichloro-4-phenylmethoxybenzoic acid 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 3,5-Dichloro-4-phenylmethoxybenzoic acid?
The CAS number of 3,5-Dichloro-4-phenylmethoxybenzoic acid is 41490-13-5.
What is the molecular formula of 3,5-Dichloro-4-phenylmethoxybenzoic acid?
The molecular formula of 3,5-Dichloro-4-phenylmethoxybenzoic acid is C14H10Cl2O3.
What is the molecular weight of 3,5-Dichloro-4-phenylmethoxybenzoic acid?
The molecular weight of 3,5-Dichloro-4-phenylmethoxybenzoic acid is 296.00 g/mol.
Where can I buy 3,5-Dichloro-4-phenylmethoxybenzoic acid?
You can request a quote for 3,5-Dichloro-4-phenylmethoxybenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5-Dichloro-4-phenylmethoxybenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3,5-Dichloro-4-phenylmethoxybenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.