Phenyl 2,6-dichlorobenzoate
TL;DR: Phenyl 2,6-dichlorobenzoate (CAS 71849-98-4) is a chemical compound with molecular formula C13H8Cl2O2 and molecular weight 265.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
phenyl 2,6-dichlorobenzoate
Also Known As: Phenyl 2,6-dichlorobenzoate, phenyl2,6-dichlorobenzoate, EINECS 276-082-9, 2,6-Dichlorobenzoic acid phenyl ester, Benzoic acid,2,6-dichloro-, phenyl ester
| Molecular Formula | C13H8Cl2O2 |
|---|---|
| Molecular Weight | 265.99 g/mol |
| LogP | 4.2126 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 265.99014 |
| Heavy Atoms | 17 |
| Complexity | 518.12067 |
Chemical Identifiers
| CAS Number | 71849-98-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)OC(=O)C2=C(C=CC=C2Cl)Cl |
Product Overview
Phenyl 2,6-dichlorobenzoate (CAS 71849-98-4), with molecular formula C13H8Cl2O2 and molecular weight 265.99 g/mol. IUPAC: phenyl 2,6-dichlorobenzoate.
Chemical Property Profile of Phenyl 2,6-dichlorobenzoate
Property Insights of Phenyl 2,6-dichlorobenzoate
The XLogP value of 4.2126 indicates that Phenyl 2,6-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, Phenyl 2,6-dichlorobenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phenyl 2,6-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 Phenyl 2,6-dichlorobenzoate?
The CAS number of Phenyl 2,6-dichlorobenzoate is 71849-98-4.
What is the molecular formula of Phenyl 2,6-dichlorobenzoate?
The molecular formula of Phenyl 2,6-dichlorobenzoate is C13H8Cl2O2.
What is the molecular weight of Phenyl 2,6-dichlorobenzoate?
The molecular weight of Phenyl 2,6-dichlorobenzoate is 265.99 g/mol.
Where can I buy Phenyl 2,6-dichlorobenzoate?
You can request a quote for Phenyl 2,6-dichlorobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenyl 2,6-dichlorobenzoate?
Yes, KEHONG BIO provides custom synthesis services for Phenyl 2,6-dichlorobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.