3,3,3-Tris(4-chlorophenyl)propanoic acid
TL;DR: 3,3,3-Tris(4-chlorophenyl)propanoic acid (CAS 2168-06-1) is a chemical compound with molecular formula C21H15Cl3O2 and molecular weight 404.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,3,3-tris(4-chlorophenyl)propanoic acid
Also Known As: 3,3,3-Tris(4-chlorophenyl)propionic acid, 3,3,3-Tris(4-chlorophenyl)propanoic acid, rarechem al bo 1263, 3,3,3-Tris(p-chlorophenyl)propionic acid, LHIVWYJOCNGZRI-UHFFFAOYSA-
| Molecular Formula | C21H15Cl3O2 |
|---|---|
| Molecular Weight | 404.01 g/mol |
| LogP | 6.7 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 404.01376 |
| Heavy Atoms | 26 |
| Complexity | 405.0 |
Chemical Identifiers
| CAS Number | 2168-06-1 |
|---|---|
| SMILES | C1=CC(=CC=C1C(CC(=O)O)(C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)Cl)Cl |
| InChIKey | LHIVWYJOCNGZRI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,3,3-Tris(4-chlorophenyl)propanoic acid (CAS 2168-06-1), with molecular formula C21H15Cl3O2 and molecular weight 404.01 g/mol. IUPAC: 3,3,3-tris(4-chlorophenyl)propanoic acid.
Chemical Property Profile of 3,3,3-Tris(4-chlorophenyl)propanoic acid
Property Insights of 3,3,3-Tris(4-chlorophenyl)propanoic acid
The XLogP value of 6.7 indicates that 3,3,3-Tris(4-chlorophenyl)propanoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, 3,3,3-Tris(4-chlorophenyl)propanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,3,3-Tris(4-chlorophenyl)propanoic acid has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3,3,3-Tris(4-chlorophenyl)propanoic acid?
The CAS number of 3,3,3-Tris(4-chlorophenyl)propanoic acid is 2168-06-1.
What is the molecular formula of 3,3,3-Tris(4-chlorophenyl)propanoic acid?
The molecular formula of 3,3,3-Tris(4-chlorophenyl)propanoic acid is C21H15Cl3O2.
What is the molecular weight of 3,3,3-Tris(4-chlorophenyl)propanoic acid?
The molecular weight of 3,3,3-Tris(4-chlorophenyl)propanoic acid is 404.01 g/mol.
Where can I buy 3,3,3-Tris(4-chlorophenyl)propanoic acid?
You can request a quote for 3,3,3-Tris(4-chlorophenyl)propanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,3,3-Tris(4-chlorophenyl)propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3,3,3-Tris(4-chlorophenyl)propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.