4-Chlorophenyl 2,4-dichlorobenzoate
TL;DR: 4-Chlorophenyl 2,4-dichlorobenzoate (CAS 72083-17-1) is a chemical compound with molecular formula C13H7Cl3O2 and molecular weight 299.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-chlorophenyl) 2,4-dichlorobenzoate
Also Known As: 4-chlorophenyl 2,4-dichlorobenzoate, (4-chlorophenyl) 2,4-dichlorobenzoate, Benzoic acid, 2,4-dichloro-, 4-chlorophenyl ester
| Molecular Formula | C13H7Cl3O2 |
|---|---|
| Molecular Weight | 299.95 g/mol |
| LogP | 4.866 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 299.95117 |
| Heavy Atoms | 18 |
| Complexity | 579.2903 |
Chemical Identifiers
| CAS Number | 72083-17-1 |
|---|---|
| SMILES | C1=CC(=CC=C1OC(=O)C2=C(C=C(C=C2)Cl)Cl)Cl |
Product Overview
4-Chlorophenyl 2,4-dichlorobenzoate (CAS 72083-17-1), with molecular formula C13H7Cl3O2 and molecular weight 299.95 g/mol. IUPAC: (4-chlorophenyl) 2,4-dichlorobenzoate.
Chemical Property Profile of 4-Chlorophenyl 2,4-dichlorobenzoate
Property Insights of 4-Chlorophenyl 2,4-dichlorobenzoate
The XLogP value of 4.866 indicates that 4-Chlorophenyl 2,4-dichlorobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 4-Chlorophenyl 2,4-dichlorobenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Chlorophenyl 2,4-dichlorobenzoate has 0 hydrogen bond donor(s) and 2 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-Chlorophenyl 2,4-dichlorobenzoate?
The CAS number of 4-Chlorophenyl 2,4-dichlorobenzoate is 72083-17-1.
What is the molecular formula of 4-Chlorophenyl 2,4-dichlorobenzoate?
The molecular formula of 4-Chlorophenyl 2,4-dichlorobenzoate is C13H7Cl3O2.
What is the molecular weight of 4-Chlorophenyl 2,4-dichlorobenzoate?
The molecular weight of 4-Chlorophenyl 2,4-dichlorobenzoate is 299.95 g/mol.
Where can I buy 4-Chlorophenyl 2,4-dichlorobenzoate?
You can request a quote for 4-Chlorophenyl 2,4-dichlorobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Chlorophenyl 2,4-dichlorobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 4-Chlorophenyl 2,4-dichlorobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.