Pentachlorophenolate
TL;DR: Pentachlorophenolate (CAS 46012-02-6) is a chemical compound with molecular formula C6Cl5O- and molecular weight 262.84 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3,4,5,6-pentachlorophenolate
Also Known As: pentachlorophenolate, pentachlorophenol, pentachlorophenoxide, pentachlorophenolate anion, pentachlorophenolate(1-)
| Molecular Formula | C6Cl5O- |
|---|---|
| Molecular Weight | 262.84 g/mol |
| LogP | 4.0272 |
| Topological Polar Surface Area | 23.06 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 262.83917 |
| Heavy Atoms | 12 |
| Complexity | 230.20323 |
Chemical Identifiers
| CAS Number | 46012-02-6 |
|---|---|
| SMILES | C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)[O-] |
Product Overview
Pentachlorophenolate (CAS 46012-02-6), with molecular formula C6Cl5O- and molecular weight 262.84 g/mol. IUPAC: 2,3,4,5,6-pentachlorophenolate.
Chemical Property Profile of Pentachlorophenolate
Property Insights of Pentachlorophenolate
The XLogP value of 4.0272 indicates that Pentachlorophenolate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.06 Ų, Pentachlorophenolate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pentachlorophenolate has 0 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 Pentachlorophenolate?
The CAS number of Pentachlorophenolate is 46012-02-6.
What is the molecular formula of Pentachlorophenolate?
The molecular formula of Pentachlorophenolate is C6Cl5O-.
What is the molecular weight of Pentachlorophenolate?
The molecular weight of Pentachlorophenolate is 262.84 g/mol.
Where can I buy Pentachlorophenolate?
You can request a quote for Pentachlorophenolate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pentachlorophenolate?
Yes, KEHONG BIO provides custom synthesis services for Pentachlorophenolate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.