9,10,12,13-Tetrachlorooctadecanoic acid
TL;DR: 9,10,12,13-Tetrachlorooctadecanoic acid (CAS 3200-51-9) is a chemical compound with molecular formula C18H32Cl4O2 and molecular weight 420.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9,10,12,13-tetrachlorooctadecanoic acid
Also Known As: 9,10,12,13-tetrachlorooctadecanoic acid, Methyl 4-tert-butylbenzoate, Octadecanoic acid, 9,10,12,13-tetrachloro-, 18:0(9Cl,10Cl,12Cl,13Cl), 9,10,12,13-tetrachloro-octadecanoic acid
| Molecular Formula | C18H32Cl4O2 |
|---|---|
| Molecular Weight | 420.12 g/mol |
| LogP | 7.7 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 16 |
| Exact Mass | 420.11563 |
| Heavy Atoms | 24 |
| Complexity | 315.0 |
Chemical Identifiers
| CAS Number | 3200-51-9 |
|---|---|
| SMILES | CCCCCC(C(CC(C(CCCCCCCC(=O)O)Cl)Cl)Cl)Cl |
| InChIKey | FRSRMUYUIAXUAX-UHFFFAOYSA-N |
Product Overview
9,10,12,13-Tetrachlorooctadecanoic acid (CAS 3200-51-9), with molecular formula C18H32Cl4O2 and molecular weight 420.12 g/mol. IUPAC: 9,10,12,13-tetrachlorooctadecanoic acid.
Chemical Property Profile of 9,10,12,13-Tetrachlorooctadecanoic acid
Property Insights of 9,10,12,13-Tetrachlorooctadecanoic acid
The XLogP value of 7.7 indicates that 9,10,12,13-Tetrachlorooctadecanoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, 9,10,12,13-Tetrachlorooctadecanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 9,10,12,13-Tetrachlorooctadecanoic acid has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 9,10,12,13-Tetrachlorooctadecanoic acid?
The CAS number of 9,10,12,13-Tetrachlorooctadecanoic acid is 3200-51-9.
What is the molecular formula of 9,10,12,13-Tetrachlorooctadecanoic acid?
The molecular formula of 9,10,12,13-Tetrachlorooctadecanoic acid is C18H32Cl4O2.
What is the molecular weight of 9,10,12,13-Tetrachlorooctadecanoic acid?
The molecular weight of 9,10,12,13-Tetrachlorooctadecanoic acid is 420.12 g/mol.
Where can I buy 9,10,12,13-Tetrachlorooctadecanoic acid?
You can request a quote for 9,10,12,13-Tetrachlorooctadecanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9,10,12,13-Tetrachlorooctadecanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 9,10,12,13-Tetrachlorooctadecanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.