Pentachlorophenyl palmitate
TL;DR: Pentachlorophenyl palmitate (CAS 7402-00-8) is a chemical compound with molecular formula C22H31Cl5O2 and molecular weight 502.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,3,4,5,6-pentachlorophenyl) hexadecanoate
Also Known As: Pentachlorophenyl palmitate, Palmitoylpentachlorophenol, pentachlorophenylpalmitate, Pentachlorophenyl hexadecanoate, Palmitic acid pentachlorophenyl ester
| Molecular Formula | C22H31Cl5O2 |
|---|---|
| Molecular Weight | 502.08 g/mol |
| LogP | 12.1 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 16 |
| Exact Mass | 502.07666 |
| Heavy Atoms | 29 |
| Complexity | 421.0 |
Chemical Identifiers
| CAS Number | 7402-00-8 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCC(=O)OC1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl |
| InChIKey | BSEOMYSJGWQRAT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Pentachlorophenyl palmitate (CAS 7402-00-8), with molecular formula C22H31Cl5O2 and molecular weight 502.08 g/mol. IUPAC: (2,3,4,5,6-pentachlorophenyl) hexadecanoate.
Chemical Property Profile of Pentachlorophenyl palmitate
Property Insights of Pentachlorophenyl palmitate
The XLogP value of 12.1 indicates that Pentachlorophenyl palmitate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Pentachlorophenyl palmitate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pentachlorophenyl palmitate has 0 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 Pentachlorophenyl palmitate?
The CAS number of Pentachlorophenyl palmitate is 7402-00-8.
What is the molecular formula of Pentachlorophenyl palmitate?
The molecular formula of Pentachlorophenyl palmitate is C22H31Cl5O2.
What is the molecular weight of Pentachlorophenyl palmitate?
The molecular weight of Pentachlorophenyl palmitate is 502.08 g/mol.
Where can I buy Pentachlorophenyl palmitate?
You can request a quote for Pentachlorophenyl palmitate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pentachlorophenyl palmitate?
Yes, KEHONG BIO provides custom synthesis services for Pentachlorophenyl palmitate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.