Phenylmethyl 3,4-dichlorobenzoate
TL;DR: Phenylmethyl 3,4-dichlorobenzoate (CAS 339094-06-3) is a chemical compound with molecular formula C14H10Cl2O2 and molecular weight 280.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl 3,4-dichlorobenzoate
Also Known As: Phenylmethyl 3,4-dichlorobenzoate, benzyl 3,4-dichlorobenzoate
| Molecular Formula | C14H10Cl2O2 |
|---|---|
| Molecular Weight | 280.01 g/mol |
| LogP | 4.3504 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 280.0058 |
| Heavy Atoms | 18 |
| Complexity | 552.9754 |
Chemical Identifiers
| CAS Number | 339094-06-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)COC(=O)C2=CC(=C(C=C2)Cl)Cl |
Product Overview
Phenylmethyl 3,4-dichlorobenzoate (CAS 339094-06-3), with molecular formula C14H10Cl2O2 and molecular weight 280.01 g/mol. IUPAC: benzyl 3,4-dichlorobenzoate.
Chemical Property Profile of Phenylmethyl 3,4-dichlorobenzoate
Property Insights of Phenylmethyl 3,4-dichlorobenzoate
The XLogP value of 4.3504 indicates that Phenylmethyl 3,4-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, Phenylmethyl 3,4-dichlorobenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phenylmethyl 3,4-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 Phenylmethyl 3,4-dichlorobenzoate?
The CAS number of Phenylmethyl 3,4-dichlorobenzoate is 339094-06-3.
What is the molecular formula of Phenylmethyl 3,4-dichlorobenzoate?
The molecular formula of Phenylmethyl 3,4-dichlorobenzoate is C14H10Cl2O2.
What is the molecular weight of Phenylmethyl 3,4-dichlorobenzoate?
The molecular weight of Phenylmethyl 3,4-dichlorobenzoate is 280.01 g/mol.
Where can I buy Phenylmethyl 3,4-dichlorobenzoate?
You can request a quote for Phenylmethyl 3,4-dichlorobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenylmethyl 3,4-dichlorobenzoate?
Yes, KEHONG BIO provides custom synthesis services for Phenylmethyl 3,4-dichlorobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.