2,3,5-Trichloro-4,6-dicyanophenyl octanoate
TL;DR: 2,3,5-Trichloro-4,6-dicyanophenyl octanoate (CAS 67205-41-8) is a chemical compound with molecular formula C16H15Cl3N2O2 and molecular weight 372.02 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) octanoate
Also Known As: 2,3,5-Trichloro-4,6-dicyanophenyl octanoate, (2,3,5-trichloro-4,6-dicyanophenyl) octanoate
| Molecular Formula | C16H15Cl3N2O2 |
|---|---|
| Molecular Weight | 372.02 g/mol |
| LogP | 6.0 |
| Topological Polar Surface Area | 73.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 372.0199 |
| Heavy Atoms | 23 |
| Complexity | 496.0 |
Chemical Identifiers
| CAS Number | 67205-41-8 |
|---|---|
| SMILES | CCCCCCCC(=O)OC1=C(C(=C(C(=C1Cl)Cl)C#N)Cl)C#N |
| InChIKey | WKBXPPHAFNUYTG-UHFFFAOYSA-N |
Product Overview
2,3,5-Trichloro-4,6-dicyanophenyl octanoate (CAS 67205-41-8), with molecular formula C16H15Cl3N2O2 and molecular weight 372.02 g/mol. IUPAC: (2,3,5-trichloro-4,6-dicyanophenyl) octanoate.
Chemical Property Profile of 2,3,5-Trichloro-4,6-dicyanophenyl octanoate
Property Insights of 2,3,5-Trichloro-4,6-dicyanophenyl octanoate
The XLogP value of 6.0 indicates that 2,3,5-Trichloro-4,6-dicyanophenyl octanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,3,5-Trichloro-4,6-dicyanophenyl octanoate. Following Lipinski's Rule of Five, 2,3,5-Trichloro-4,6-dicyanophenyl octanoate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2,3,5-Trichloro-4,6-dicyanophenyl octanoate?
The CAS number of 2,3,5-Trichloro-4,6-dicyanophenyl octanoate is 67205-41-8.
What is the molecular formula of 2,3,5-Trichloro-4,6-dicyanophenyl octanoate?
The molecular formula of 2,3,5-Trichloro-4,6-dicyanophenyl octanoate is C16H15Cl3N2O2.
What is the molecular weight of 2,3,5-Trichloro-4,6-dicyanophenyl octanoate?
The molecular weight of 2,3,5-Trichloro-4,6-dicyanophenyl octanoate is 372.02 g/mol.
Where can I buy 2,3,5-Trichloro-4,6-dicyanophenyl octanoate?
You can request a quote for 2,3,5-Trichloro-4,6-dicyanophenyl octanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3,5-Trichloro-4,6-dicyanophenyl octanoate?
Yes, KEHONG BIO provides custom synthesis services for 2,3,5-Trichloro-4,6-dicyanophenyl octanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.