Pentachloroanisole
TL;DR: Pentachloroanisole (CAS 1825-21-4) is a chemical compound with molecular formula C7H3Cl5O and molecular weight 277.86 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,2,3,4,5-pentachloro-6-methoxybenzene
Also Known As: PENTACHLOROANISOLE, Pentachloranisole, Pentachloromethoxybenzene, Methyl pentachlorophenate, Pentachlorophenyl methyl ether
| Molecular Formula | C7H3Cl5O |
|---|---|
| Molecular Weight | 277.86 g/mol |
| LogP | 5.4 |
| Topological Polar Surface Area | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 279.8597 |
| Heavy Atoms | 13 |
| Complexity | 162.0 |
| Melting Point | 226 to 108.9 °C |
| Solubility | less than 1 mg/mL at 77 °F (NTP, 1992) |
| Vapor Pressure | 0.000592 [mmHg] |
Chemical Identifiers
| CAS Number | 1825-21-4 |
|---|---|
| SMILES | COC1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl |
| InChIKey | BBABSCYTNHOKOG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Pentachloroanisole (CAS 1825-21-4), with molecular formula C7H3Cl5O and molecular weight 277.86 g/mol. IUPAC: 1,2,3,4,5-pentachloro-6-methoxybenzene.
Chemical Property Profile of Pentachloroanisole
Property Insights of Pentachloroanisole
The XLogP value of 5.4 indicates that Pentachloroanisole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 9.2 Ų, Pentachloroanisole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pentachloroanisole has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Pentachloroanisole?
The CAS number of Pentachloroanisole is 1825-21-4.
What is the molecular formula of Pentachloroanisole?
The molecular formula of Pentachloroanisole is C7H3Cl5O.
What is the molecular weight of Pentachloroanisole?
The molecular weight of Pentachloroanisole is 277.86 g/mol.
Where can I buy Pentachloroanisole?
You can request a quote for Pentachloroanisole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pentachloroanisole?
Yes, KEHONG BIO provides custom synthesis services for Pentachloroanisole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.