Benzoic acid, 3,4-dichloro-, 4-cyano-2,3,5,6-tetrachlorophenyl ester
TL;DR: Benzoic acid, 3,4-dichloro-, 4-cyano-2,3,5,6-tetrachlorophenyl ester (CAS 67205-64-5) is a chemical compound with molecular formula C14H3Cl6NO2 and molecular weight 426.83 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,3,5,6-tetrachloro-4-cyanophenyl) 3,4-dichlorobenzoate
Also Known As: 2,3,5,6-tetrachloro-4-cyanophenyl 3,4-dichlorobenzoate, 4-Cyano-2,3,5,6-tetrachlorophenyl 3,4-dichlorobenzoate, Benzoic acid, 3,4-dichloro-, 4-cyano-2,3,5,6-tetrachlorophenyl ester, (2,3,5,6-tetrachloro-4-cyanophenyl) 3,4-dichlorobenzoate, BRN 2605550
| Molecular Formula | C14H3Cl6NO2 |
|---|---|
| Molecular Weight | 426.83 g/mol |
| LogP | 6.8 |
| Topological Polar Surface Area | 50.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 428.82654 |
| Heavy Atoms | 23 |
| Complexity | 481.0 |
Chemical Identifiers
| CAS Number | 67205-64-5 |
|---|---|
| SMILES | C1=CC(=C(C=C1C(=O)OC2=C(C(=C(C(=C2Cl)Cl)C#N)Cl)Cl)Cl)Cl |
| InChIKey | FZIIABXWUWNPBC-UHFFFAOYSA-N |
Product Overview
Benzoic acid, 3,4-dichloro-, 4-cyano-2,3,5,6-tetrachlorophenyl ester (CAS 67205-64-5), with molecular formula C14H3Cl6NO2 and molecular weight 426.83 g/mol. IUPAC: (2,3,5,6-tetrachloro-4-cyanophenyl) 3,4-dichlorobenzoate.
Chemical Property Profile of Benzoic acid, 3,4-dichloro-, 4-cyano-2,3,5,6-tetrachlorophenyl ester
Property Insights of Benzoic acid, 3,4-dichloro-, 4-cyano-2,3,5,6-tetrachlorophenyl ester
The XLogP value of 6.8 indicates that Benzoic acid, 3,4-dichloro-, 4-cyano-2,3,5,6-tetrachlorophenyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.1 Ų, Benzoic acid, 3,4-dichloro-, 4-cyano-2,3,5,6-tetrachlorophenyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoic acid, 3,4-dichloro-, 4-cyano-2,3,5,6-tetrachlorophenyl ester has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Benzoic acid, 3,4-dichloro-, 4-cyano-2,3,5,6-tetrachlorophenyl ester?
The CAS number of Benzoic acid, 3,4-dichloro-, 4-cyano-2,3,5,6-tetrachlorophenyl ester is 67205-64-5.
What is the molecular formula of Benzoic acid, 3,4-dichloro-, 4-cyano-2,3,5,6-tetrachlorophenyl ester?
The molecular formula of Benzoic acid, 3,4-dichloro-, 4-cyano-2,3,5,6-tetrachlorophenyl ester is C14H3Cl6NO2.
What is the molecular weight of Benzoic acid, 3,4-dichloro-, 4-cyano-2,3,5,6-tetrachlorophenyl ester?
The molecular weight of Benzoic acid, 3,4-dichloro-, 4-cyano-2,3,5,6-tetrachlorophenyl ester is 426.83 g/mol.
Where can I buy Benzoic acid, 3,4-dichloro-, 4-cyano-2,3,5,6-tetrachlorophenyl ester?
You can request a quote for Benzoic acid, 3,4-dichloro-, 4-cyano-2,3,5,6-tetrachlorophenyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, 3,4-dichloro-, 4-cyano-2,3,5,6-tetrachlorophenyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 3,4-dichloro-, 4-cyano-2,3,5,6-tetrachlorophenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.