4-Formylphenyl 2,4-dichlorobenzoate
TL;DR: 4-Formylphenyl 2,4-dichlorobenzoate (CAS 514787-47-4) is a chemical compound with molecular formula C14H8Cl2O3 and molecular weight 293.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-formylphenyl) 2,4-dichlorobenzoate
Also Known As: 4-formylphenyl 2,4-dichlorobenzoate, (4-formylphenyl) 2,4-dichlorobenzoate, 4-formylphenyl2,4-dichlorobenzoate, 1-[1-(3,4-Dichloro-phenyl)-ethyl]-piperazine, Benzoic acid, 2,4-dichloro-, 4-formylphenyl ester
| Molecular Formula | C14H8Cl2O3 |
|---|---|
| Molecular Weight | 293.99 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 293.98505 |
| Heavy Atoms | 19 |
| Complexity | 327.0 |
Chemical Identifiers
| CAS Number | 514787-47-4 |
|---|---|
| SMILES | C1=CC(=CC=C1C=O)OC(=O)C2=C(C=C(C=C2)Cl)Cl |
| InChIKey | HKOUIFFMHCESMJ-UHFFFAOYSA-N |
Product Overview
4-Formylphenyl 2,4-dichlorobenzoate (CAS 514787-47-4), with molecular formula C14H8Cl2O3 and molecular weight 293.99 g/mol. IUPAC: (4-formylphenyl) 2,4-dichlorobenzoate.
Chemical Property Profile of 4-Formylphenyl 2,4-dichlorobenzoate
Property Insights of 4-Formylphenyl 2,4-dichlorobenzoate
The XLogP value of 4.2 indicates that 4-Formylphenyl 2,4-dichlorobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.4 Ų, 4-Formylphenyl 2,4-dichlorobenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Formylphenyl 2,4-dichlorobenzoate has 0 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 4-Formylphenyl 2,4-dichlorobenzoate?
The CAS number of 4-Formylphenyl 2,4-dichlorobenzoate is 514787-47-4.
What is the molecular formula of 4-Formylphenyl 2,4-dichlorobenzoate?
The molecular formula of 4-Formylphenyl 2,4-dichlorobenzoate is C14H8Cl2O3.
What is the molecular weight of 4-Formylphenyl 2,4-dichlorobenzoate?
The molecular weight of 4-Formylphenyl 2,4-dichlorobenzoate is 293.99 g/mol.
Where can I buy 4-Formylphenyl 2,4-dichlorobenzoate?
You can request a quote for 4-Formylphenyl 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-Formylphenyl 2,4-dichlorobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 4-Formylphenyl 2,4-dichlorobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.