2-Octyl tetrachlorophthalate
TL;DR: 2-Octyl tetrachlorophthalate (CAS 57789-23-8) is a chemical compound with molecular formula C16H18Cl4O4 and molecular weight 414.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3,4,5-tetrachloro-6-octan-2-yloxycarbonylbenzoic acid
Also Known As: 2-OCTYL TETRACHLOROPHTHALATE, 2,3,4,5-tetrachloro-6-octan-2-yloxycarbonyl-benzoic Acid, 2,3,4,5-tetrachloro-6-octan-2-yloxycarbonylbenzoic acid, 666-923-1, RefChem:477312
| Molecular Formula | C16H18Cl4O4 |
|---|---|
| Molecular Weight | 414.00 g/mol |
| LogP | 6.5141 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 413.9959 |
| Heavy Atoms | 24 |
| Complexity | 631.23883 |
Chemical Identifiers
| CAS Number | 57789-23-8 |
|---|---|
| SMILES | CCCCCCC(C)OC(=O)C1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)C(=O)O |
Product Overview
2-Octyl tetrachlorophthalate (CAS 57789-23-8), with molecular formula C16H18Cl4O4 and molecular weight 414.00 g/mol. IUPAC: 2,3,4,5-tetrachloro-6-octan-2-yloxycarbonylbenzoic acid.
Chemical Property Profile of 2-Octyl tetrachlorophthalate
Property Insights of 2-Octyl tetrachlorophthalate
The XLogP value of 6.5141 indicates that 2-Octyl tetrachlorophthalate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Octyl tetrachlorophthalate. Following Lipinski's Rule of Five, 2-Octyl tetrachlorophthalate has 1 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 2-Octyl tetrachlorophthalate?
The CAS number of 2-Octyl tetrachlorophthalate is 57789-23-8.
What is the molecular formula of 2-Octyl tetrachlorophthalate?
The molecular formula of 2-Octyl tetrachlorophthalate is C16H18Cl4O4.
What is the molecular weight of 2-Octyl tetrachlorophthalate?
The molecular weight of 2-Octyl tetrachlorophthalate is 414.00 g/mol.
Where can I buy 2-Octyl tetrachlorophthalate?
You can request a quote for 2-Octyl tetrachlorophthalate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Octyl tetrachlorophthalate?
Yes, KEHONG BIO provides custom synthesis services for 2-Octyl tetrachlorophthalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.