Dodecanoic acid, 4-cyano-2,3,5,6-tetrachlorophenyl ester
TL;DR: Dodecanoic acid, 4-cyano-2,3,5,6-tetrachlorophenyl ester (CAS 67205-61-2) is a chemical compound with molecular formula C19H23Cl4NO2 and molecular weight 437.05 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) dodecanoate
Also Known As: 4-Cyano-2,3,5,6-tetrachlorophenyl dodecanoate, Dodecanoic acid, 4-cyano-2,3,5,6-tetrachlorophenyl ester, 2,3,5,6-tetrachloro-4-cyanophenyl laurate, (2,3,5,6-tetrachloro-4-cyanophenyl) dodecanoate, 2,3,5,6-TETRACHLORO-4-CYANOPHENYL DODECANOATE
| Molecular Formula | C19H23Cl4NO2 |
|---|---|
| Molecular Weight | 437.05 g/mol |
| LogP | 9.1 |
| Topological Polar Surface Area | 50.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 12 |
| Exact Mass | 439.04535 |
| Heavy Atoms | 26 |
| Complexity | 452.0 |
Chemical Identifiers
| CAS Number | 67205-61-2 |
|---|---|
| SMILES | CCCCCCCCCCCC(=O)OC1=C(C(=C(C(=C1Cl)Cl)C#N)Cl)Cl |
| InChIKey | ZESURNSFEWJIMR-UHFFFAOYSA-N |
Product Overview
Dodecanoic acid, 4-cyano-2,3,5,6-tetrachlorophenyl ester (CAS 67205-61-2), with molecular formula C19H23Cl4NO2 and molecular weight 437.05 g/mol. IUPAC: (2,3,5,6-tetrachloro-4-cyanophenyl) dodecanoate.
Chemical Property Profile of Dodecanoic acid, 4-cyano-2,3,5,6-tetrachlorophenyl ester
Property Insights of Dodecanoic acid, 4-cyano-2,3,5,6-tetrachlorophenyl ester
The XLogP value of 9.1 indicates that Dodecanoic 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 50.1 Ų, Dodecanoic 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, Dodecanoic 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 Dodecanoic acid, 4-cyano-2,3,5,6-tetrachlorophenyl ester?
The CAS number of Dodecanoic acid, 4-cyano-2,3,5,6-tetrachlorophenyl ester is 67205-61-2.
What is the molecular formula of Dodecanoic acid, 4-cyano-2,3,5,6-tetrachlorophenyl ester?
The molecular formula of Dodecanoic acid, 4-cyano-2,3,5,6-tetrachlorophenyl ester is C19H23Cl4NO2.
What is the molecular weight of Dodecanoic acid, 4-cyano-2,3,5,6-tetrachlorophenyl ester?
The molecular weight of Dodecanoic acid, 4-cyano-2,3,5,6-tetrachlorophenyl ester is 437.05 g/mol.
Where can I buy Dodecanoic acid, 4-cyano-2,3,5,6-tetrachlorophenyl ester?
You can request a quote for Dodecanoic 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 Dodecanoic acid, 4-cyano-2,3,5,6-tetrachlorophenyl ester?
Yes, KEHONG BIO provides custom synthesis services for Dodecanoic acid, 4-cyano-2,3,5,6-tetrachlorophenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.