4-Formylphenyl 4-chlorobenzoate
TL;DR: 4-Formylphenyl 4-chlorobenzoate (CAS 108577-34-0) is a chemical compound with molecular formula C14H9ClO3 and molecular weight 260.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-formylphenyl) 4-chlorobenzoate
Also Known As: 4-formylphenyl 4-chlorobenzoate, (4-formylphenyl) 4-chlorobenzoate, 4-formylphenyl4-chlorobenzoate, 4-<(4-chlorobenzoyl)oxy>benzaldehyde, Benzoic acid, 4-chloro-, 4-formylphenyl ester
| Molecular Formula | C14H9ClO3 |
|---|---|
| Molecular Weight | 260.02 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 260.02402 |
| Heavy Atoms | 18 |
| Complexity | 289.0 |
Chemical Identifiers
| CAS Number | 108577-34-0 |
|---|---|
| SMILES | C1=CC(=CC=C1C=O)OC(=O)C2=CC=C(C=C2)Cl |
| InChIKey | KQSDBATZVOQQQY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Formylphenyl 4-chlorobenzoate (CAS 108577-34-0), with molecular formula C14H9ClO3 and molecular weight 260.02 g/mol. IUPAC: (4-formylphenyl) 4-chlorobenzoate.
Chemical Property Profile of 4-Formylphenyl 4-chlorobenzoate
Property Insights of 4-Formylphenyl 4-chlorobenzoate
The XLogP value of 3.7 indicates that 4-Formylphenyl 4-chlorobenzoate 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 4-chlorobenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Formylphenyl 4-chlorobenzoate 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 4-chlorobenzoate?
The CAS number of 4-Formylphenyl 4-chlorobenzoate is 108577-34-0.
What is the molecular formula of 4-Formylphenyl 4-chlorobenzoate?
The molecular formula of 4-Formylphenyl 4-chlorobenzoate is C14H9ClO3.
What is the molecular weight of 4-Formylphenyl 4-chlorobenzoate?
The molecular weight of 4-Formylphenyl 4-chlorobenzoate is 260.02 g/mol.
Where can I buy 4-Formylphenyl 4-chlorobenzoate?
You can request a quote for 4-Formylphenyl 4-chlorobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Formylphenyl 4-chlorobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 4-Formylphenyl 4-chlorobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.