Hexanoic acid, 4,6-dicyano-2,3,5-trichlorophenyl ester
TL;DR: Hexanoic acid, 4,6-dicyano-2,3,5-trichlorophenyl ester (CAS 67205-39-4) is a chemical compound with molecular formula C14H11Cl3N2O2 and molecular weight 343.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,3,5-trichloro-4,6-dicyanophenyl) hexanoate
Also Known As: 4,6-Dicyano-2,3,5-trichlorophenyl hexanoate, Hexanoic acid, 4,6-dicyano-2,3,5-trichlorophenyl ester, 2,3,5-Trichloro-4,6-dicyanophenyl hexanoate, (2,3,5-trichloro-4,6-dicyanophenyl) hexanoate, BRN 2672225
| Molecular Formula | C14H11Cl3N2O2 |
|---|---|
| Molecular Weight | 343.99 g/mol |
| LogP | 4.87586 |
| Topological Polar Surface Area | 73.88 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 343.98862 |
| Heavy Atoms | 21 |
| Complexity | 645.335 |
Chemical Identifiers
| CAS Number | 67205-39-4 |
|---|---|
| SMILES | CCCCCC(=O)OC1=C(C(=C(C(=C1Cl)Cl)C#N)Cl)C#N |
Product Overview
Hexanoic acid, 4,6-dicyano-2,3,5-trichlorophenyl ester (CAS 67205-39-4), with molecular formula C14H11Cl3N2O2 and molecular weight 343.99 g/mol. IUPAC: (2,3,5-trichloro-4,6-dicyanophenyl) hexanoate.
Chemical Property Profile of Hexanoic acid, 4,6-dicyano-2,3,5-trichlorophenyl ester
Property Insights of Hexanoic acid, 4,6-dicyano-2,3,5-trichlorophenyl ester
The XLogP value of 4.87586 indicates that Hexanoic acid, 4,6-dicyano-2,3,5-trichlorophenyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.88 Ų falls within the moderate polarity range, balancing permeability and solubility for Hexanoic acid, 4,6-dicyano-2,3,5-trichlorophenyl ester. Following Lipinski's Rule of Five, Hexanoic acid, 4,6-dicyano-2,3,5-trichlorophenyl ester has 0 hydrogen bond donor(s) and 4 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 Hexanoic acid, 4,6-dicyano-2,3,5-trichlorophenyl ester?
The CAS number of Hexanoic acid, 4,6-dicyano-2,3,5-trichlorophenyl ester is 67205-39-4.
What is the molecular formula of Hexanoic acid, 4,6-dicyano-2,3,5-trichlorophenyl ester?
The molecular formula of Hexanoic acid, 4,6-dicyano-2,3,5-trichlorophenyl ester is C14H11Cl3N2O2.
What is the molecular weight of Hexanoic acid, 4,6-dicyano-2,3,5-trichlorophenyl ester?
The molecular weight of Hexanoic acid, 4,6-dicyano-2,3,5-trichlorophenyl ester is 343.99 g/mol.
Where can I buy Hexanoic acid, 4,6-dicyano-2,3,5-trichlorophenyl ester?
You can request a quote for Hexanoic acid, 4,6-dicyano-2,3,5-trichlorophenyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hexanoic acid, 4,6-dicyano-2,3,5-trichlorophenyl ester?
Yes, KEHONG BIO provides custom synthesis services for Hexanoic acid, 4,6-dicyano-2,3,5-trichlorophenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.