2,3,5-Trichloro-4,6-dicyanophenyl 2-ethylhexanoate
TL;DR: 2,3,5-Trichloro-4,6-dicyanophenyl 2-ethylhexanoate (CAS 67205-40-7) 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) 2-ethylhexanoate
Also Known As: 4,6-Dicyano-2,3,5-trichlorophenyl 2-ethylhexanoate, 2,3,5-Trichloro-4,6-dicyanophenyl 2-ethylhexanoate, Hexanoic acid, 2-ethyl-, 4,6-dicyano-2,3,5-trichlorophenyl ester, (2,3,5-trichloro-4,6-dicyanophenyl) 2-ethylhexanoate, RefChem:1059239
| Molecular Formula | C16H15Cl3N2O2 |
|---|---|
| Molecular Weight | 372.02 g/mol |
| LogP | 5.51196 |
| Topological Polar Surface Area | 73.88 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 372.0199 |
| Heavy Atoms | 23 |
| Complexity | 690.2816 |
Chemical Identifiers
| CAS Number | 67205-40-7 |
|---|---|
| SMILES | CCCCC(CC)C(=O)OC1=C(C(=C(C(=C1Cl)Cl)C#N)Cl)C#N |
Product Overview
2,3,5-Trichloro-4,6-dicyanophenyl 2-ethylhexanoate (CAS 67205-40-7), with molecular formula C16H15Cl3N2O2 and molecular weight 372.02 g/mol. IUPAC: (2,3,5-trichloro-4,6-dicyanophenyl) 2-ethylhexanoate.
Chemical Property Profile of 2,3,5-Trichloro-4,6-dicyanophenyl 2-ethylhexanoate
Property Insights of 2,3,5-Trichloro-4,6-dicyanophenyl 2-ethylhexanoate
The XLogP value of 5.51196 indicates that 2,3,5-Trichloro-4,6-dicyanophenyl 2-ethylhexanoate 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 2,3,5-Trichloro-4,6-dicyanophenyl 2-ethylhexanoate. Following Lipinski's Rule of Five, 2,3,5-Trichloro-4,6-dicyanophenyl 2-ethylhexanoate 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 2-ethylhexanoate?
The CAS number of 2,3,5-Trichloro-4,6-dicyanophenyl 2-ethylhexanoate is 67205-40-7.
What is the molecular formula of 2,3,5-Trichloro-4,6-dicyanophenyl 2-ethylhexanoate?
The molecular formula of 2,3,5-Trichloro-4,6-dicyanophenyl 2-ethylhexanoate is C16H15Cl3N2O2.
What is the molecular weight of 2,3,5-Trichloro-4,6-dicyanophenyl 2-ethylhexanoate?
The molecular weight of 2,3,5-Trichloro-4,6-dicyanophenyl 2-ethylhexanoate is 372.02 g/mol.
Where can I buy 2,3,5-Trichloro-4,6-dicyanophenyl 2-ethylhexanoate?
You can request a quote for 2,3,5-Trichloro-4,6-dicyanophenyl 2-ethylhexanoate 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 2-ethylhexanoate?
Yes, KEHONG BIO provides custom synthesis services for 2,3,5-Trichloro-4,6-dicyanophenyl 2-ethylhexanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.