Pentanoic acid, 4-cyano-2,3,5,6-tetrachlorophenyl ester
TL;DR: Pentanoic acid, 4-cyano-2,3,5,6-tetrachlorophenyl ester (CAS 67205-56-5) is a chemical compound with molecular formula C12H9Cl4NO2 and molecular weight 338.94 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) pentanoate
Also Known As: 4-Cyano-2,3,5,6-tetrachlorophenyl pentanoate, Pentanoic acid, 4-cyano-2,3,5,6-tetrachlorophenyl ester, (2,3,5,6-tetrachloro-4-cyanophenyl) pentanoate, 2,3,5,6-Tetrachloro-4-cyanophenyl pentanoate, BRN 2597868
| Molecular Formula | C12H9Cl4NO2 |
|---|---|
| Molecular Weight | 338.94 g/mol |
| LogP | 5.26748 |
| Topological Polar Surface Area | 50.09 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 338.93875 |
| Heavy Atoms | 19 |
| Complexity | 522.636 |
Chemical Identifiers
| CAS Number | 67205-56-5 |
|---|---|
| SMILES | CCCCC(=O)OC1=C(C(=C(C(=C1Cl)Cl)C#N)Cl)Cl |
Product Overview
Pentanoic acid, 4-cyano-2,3,5,6-tetrachlorophenyl ester (CAS 67205-56-5), with molecular formula C12H9Cl4NO2 and molecular weight 338.94 g/mol. IUPAC: (2,3,5,6-tetrachloro-4-cyanophenyl) pentanoate.
Chemical Property Profile of Pentanoic acid, 4-cyano-2,3,5,6-tetrachlorophenyl ester
Property Insights of Pentanoic acid, 4-cyano-2,3,5,6-tetrachlorophenyl ester
The XLogP value of 5.26748 indicates that Pentanoic 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, Pentanoic 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, Pentanoic 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 Pentanoic acid, 4-cyano-2,3,5,6-tetrachlorophenyl ester?
The CAS number of Pentanoic acid, 4-cyano-2,3,5,6-tetrachlorophenyl ester is 67205-56-5.
What is the molecular formula of Pentanoic acid, 4-cyano-2,3,5,6-tetrachlorophenyl ester?
The molecular formula of Pentanoic acid, 4-cyano-2,3,5,6-tetrachlorophenyl ester is C12H9Cl4NO2.
What is the molecular weight of Pentanoic acid, 4-cyano-2,3,5,6-tetrachlorophenyl ester?
The molecular weight of Pentanoic acid, 4-cyano-2,3,5,6-tetrachlorophenyl ester is 338.94 g/mol.
Where can I buy Pentanoic acid, 4-cyano-2,3,5,6-tetrachlorophenyl ester?
You can request a quote for Pentanoic 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 Pentanoic acid, 4-cyano-2,3,5,6-tetrachlorophenyl ester?
Yes, KEHONG BIO provides custom synthesis services for Pentanoic acid, 4-cyano-2,3,5,6-tetrachlorophenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.