4,4'-Dichlorodiphenic acid
TL;DR: 4,4'-Dichlorodiphenic acid (CAS 54389-65-0) is a chemical compound with molecular formula C14H8Cl2O4 and molecular weight 309.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-carboxy-4-chlorophenyl)-5-chlorobenzoic acid
Also Known As: 4,4'-DICHLORODIPHENIC ACID, 4,4'-Dichlorodiphenicacid, 4,4'-dichloro-diphenic acid, 4,4\'-Dichlorodiphenic acid, 2-(2-carboxy-4-chlorophenyl)-5-chlorobenzoic acid
| Molecular Formula | C14H8Cl2O4 |
|---|---|
| Molecular Weight | 309.98 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 309.97995 |
| Heavy Atoms | 20 |
| Complexity | 351.0 |
Chemical Identifiers
| CAS Number | 54389-65-0 |
|---|---|
| SMILES | C1=CC(=C(C=C1Cl)C(=O)O)C2=C(C=C(C=C2)Cl)C(=O)O |
| InChIKey | QODNHPKXKPBBTG-UHFFFAOYSA-N |
Product Overview
4,4'-Dichlorodiphenic acid (CAS 54389-65-0), with molecular formula C14H8Cl2O4 and molecular weight 309.98 g/mol. IUPAC: 2-(2-carboxy-4-chlorophenyl)-5-chlorobenzoic acid.
Chemical Property Profile of 4,4'-Dichlorodiphenic acid
Property Insights of 4,4'-Dichlorodiphenic acid
The XLogP value of 4.1 indicates that 4,4'-Dichlorodiphenic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,4'-Dichlorodiphenic acid. Following Lipinski's Rule of Five, 4,4'-Dichlorodiphenic acid has 2 hydrogen bond donor(s) and 4 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'-Dichlorodiphenic acid?
The CAS number of 4,4'-Dichlorodiphenic acid is 54389-65-0.
What is the molecular formula of 4,4'-Dichlorodiphenic acid?
The molecular formula of 4,4'-Dichlorodiphenic acid is C14H8Cl2O4.
What is the molecular weight of 4,4'-Dichlorodiphenic acid?
The molecular weight of 4,4'-Dichlorodiphenic acid is 309.98 g/mol.
Where can I buy 4,4'-Dichlorodiphenic acid?
You can request a quote for 4,4'-Dichlorodiphenic 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'-Dichlorodiphenic acid?
Yes, KEHONG BIO provides custom synthesis services for 4,4'-Dichlorodiphenic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.