Octanoic acid, 4-cyano-2,3,5,6-tetrachlorophenyl ester
TL;DR: Octanoic acid, 4-cyano-2,3,5,6-tetrachlorophenyl ester (CAS 67205-59-8) is a chemical compound with molecular formula C15H15Cl4NO2 and molecular weight 380.99 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) octanoate
Also Known As: 4-Cyano-2,3,5,6-tetrachlorophenyl octanoate, Octanoic acid, 4-cyano-2,3,5,6-tetrachlorophenyl ester, 2,3,5,6-Tetrachloro-4-cyanophenyl octanoate, (2,3,5,6-tetrachloro-4-cyanophenyl) octanoate, BRN 2600735
| Molecular Formula | C15H15Cl4NO2 |
|---|---|
| Molecular Weight | 380.99 g/mol |
| LogP | 6.43778 |
| Topological Polar Surface Area | 50.09 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 380.9857 |
| Heavy Atoms | 22 |
| Complexity | 567.18085 |
Chemical Identifiers
| CAS Number | 67205-59-8 |
|---|---|
| SMILES | CCCCCCCC(=O)OC1=C(C(=C(C(=C1Cl)Cl)C#N)Cl)Cl |
Product Overview
Octanoic acid, 4-cyano-2,3,5,6-tetrachlorophenyl ester (CAS 67205-59-8), with molecular formula C15H15Cl4NO2 and molecular weight 380.99 g/mol. IUPAC: (2,3,5,6-tetrachloro-4-cyanophenyl) octanoate.
Chemical Property Profile of Octanoic acid, 4-cyano-2,3,5,6-tetrachlorophenyl ester
Property Insights of Octanoic acid, 4-cyano-2,3,5,6-tetrachlorophenyl ester
The XLogP value of 6.43778 indicates that Octanoic acid, 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 50.09 Ų, Octanoic acid, 4-cyano-2,3,5,6-tetrachlorophenyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Octanoic acid, 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 Octanoic acid, 4-cyano-2,3,5,6-tetrachlorophenyl ester?
The CAS number of Octanoic acid, 4-cyano-2,3,5,6-tetrachlorophenyl ester is 67205-59-8.
What is the molecular formula of Octanoic acid, 4-cyano-2,3,5,6-tetrachlorophenyl ester?
The molecular formula of Octanoic acid, 4-cyano-2,3,5,6-tetrachlorophenyl ester is C15H15Cl4NO2.
What is the molecular weight of Octanoic acid, 4-cyano-2,3,5,6-tetrachlorophenyl ester?
The molecular weight of Octanoic acid, 4-cyano-2,3,5,6-tetrachlorophenyl ester is 380.99 g/mol.
Where can I buy Octanoic acid, 4-cyano-2,3,5,6-tetrachlorophenyl ester?
You can request a quote for Octanoic acid, 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 Octanoic acid, 4-cyano-2,3,5,6-tetrachlorophenyl ester?
Yes, KEHONG BIO provides custom synthesis services for Octanoic acid, 4-cyano-2,3,5,6-tetrachlorophenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.