Acetic acid, trichloro-, 4-cyano-2,3,5,6-tetrachlorophenyl ester
TL;DR: Acetic acid, trichloro-, 4-cyano-2,3,5,6-tetrachlorophenyl ester (CAS 67205-62-3) is a chemical compound with molecular formula C9Cl7NO2 and molecular weight 398.77 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) 2,2,2-trichloroacetate
Also Known As: C9Cl7NO2, 4-Cyano-2,3,5,6-tetrachlorophenyl trichloroacetate, Acetic acid, trichloro-, 4-cyano-2,3,5,6-tetrachlorophenyl ester, 2,3,5,6-Tetrachloro-4-cyanophenyl trichloroacetate, (2,3,5,6-tetrachloro-4-cyanophenyl) 2,2,2-trichloroacetate
| Molecular Formula | C9Cl7NO2 |
|---|---|
| Molecular Weight | 398.77 g/mol |
| LogP | 5.44748 |
| Topological Polar Surface Area | 50.09 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 398.77487 |
| Heavy Atoms | 19 |
| Complexity | 558.6968 |
Chemical Identifiers
| CAS Number | 67205-62-3 |
|---|---|
| SMILES | C(#N)C1=C(C(=C(C(=C1Cl)Cl)OC(=O)C(Cl)(Cl)Cl)Cl)Cl |
Product Overview
Acetic acid, trichloro-, 4-cyano-2,3,5,6-tetrachlorophenyl ester (CAS 67205-62-3), with molecular formula C9Cl7NO2 and molecular weight 398.77 g/mol. IUPAC: (2,3,5,6-tetrachloro-4-cyanophenyl) 2,2,2-trichloroacetate.
Chemical Property Profile of Acetic acid, trichloro-, 4-cyano-2,3,5,6-tetrachlorophenyl ester
Property Insights of Acetic acid, trichloro-, 4-cyano-2,3,5,6-tetrachlorophenyl ester
The XLogP value of 5.44748 indicates that Acetic acid, trichloro-, 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, Acetic acid, trichloro-, 4-cyano-2,3,5,6-tetrachlorophenyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Acetic acid, trichloro-, 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 Acetic acid, trichloro-, 4-cyano-2,3,5,6-tetrachlorophenyl ester?
The CAS number of Acetic acid, trichloro-, 4-cyano-2,3,5,6-tetrachlorophenyl ester is 67205-62-3.
What is the molecular formula of Acetic acid, trichloro-, 4-cyano-2,3,5,6-tetrachlorophenyl ester?
The molecular formula of Acetic acid, trichloro-, 4-cyano-2,3,5,6-tetrachlorophenyl ester is C9Cl7NO2.
What is the molecular weight of Acetic acid, trichloro-, 4-cyano-2,3,5,6-tetrachlorophenyl ester?
The molecular weight of Acetic acid, trichloro-, 4-cyano-2,3,5,6-tetrachlorophenyl ester is 398.77 g/mol.
Where can I buy Acetic acid, trichloro-, 4-cyano-2,3,5,6-tetrachlorophenyl ester?
You can request a quote for Acetic acid, trichloro-, 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 Acetic acid, trichloro-, 4-cyano-2,3,5,6-tetrachlorophenyl ester?
Yes, KEHONG BIO provides custom synthesis services for Acetic acid, trichloro-, 4-cyano-2,3,5,6-tetrachlorophenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.