2,3,4,5,6-Pentachlorobenzenemethanol
TL;DR: 2,3,4,5,6-Pentachlorobenzenemethanol (CAS 16022-69-8) 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.
(2,3,4,5,6-pentachlorophenyl)methanol
Also Known As: Blastin, PCBA, (pentachlorophenyl)methanol, PENTACHLOROBENZYL ALCOHOL, 2,3,4,5,6-Pentachlorobenzenemethanol
| Molecular Formula | C7H3Cl5O |
|---|---|
| Molecular Weight | 277.86 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 279.8597 |
| Heavy Atoms | 13 |
| Complexity | 162.0 |
| Melting Point | 193 °C |
| Solubility | 0.002 mg/mL at 20 °C |
Chemical Identifiers
| CAS Number | 16022-69-8 |
|---|---|
| SMILES | C(C1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)O |
| InChIKey | RVCKCEDKBVEEHL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,3,4,5,6-Pentachlorobenzenemethanol (CAS 16022-69-8), with molecular formula C7H3Cl5O and molecular weight 277.86 g/mol. IUPAC: (2,3,4,5,6-pentachlorophenyl)methanol.
Chemical Property Profile of 2,3,4,5,6-Pentachlorobenzenemethanol
Property Insights of 2,3,4,5,6-Pentachlorobenzenemethanol
The XLogP value of 4.2 indicates that 2,3,4,5,6-Pentachlorobenzenemethanol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.2 Ų, 2,3,4,5,6-Pentachlorobenzenemethanol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,3,4,5,6-Pentachlorobenzenemethanol has 1 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2,3,4,5,6-Pentachlorobenzenemethanol?
The CAS number of 2,3,4,5,6-Pentachlorobenzenemethanol is 16022-69-8.
What is the molecular formula of 2,3,4,5,6-Pentachlorobenzenemethanol?
The molecular formula of 2,3,4,5,6-Pentachlorobenzenemethanol is C7H3Cl5O.
What is the molecular weight of 2,3,4,5,6-Pentachlorobenzenemethanol?
The molecular weight of 2,3,4,5,6-Pentachlorobenzenemethanol is 277.86 g/mol.
Where can I buy 2,3,4,5,6-Pentachlorobenzenemethanol?
You can request a quote for 2,3,4,5,6-Pentachlorobenzenemethanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3,4,5,6-Pentachlorobenzenemethanol?
Yes, KEHONG BIO provides custom synthesis services for 2,3,4,5,6-Pentachlorobenzenemethanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.