六氯酚
TL;DR: 六氯酚 (CAS 70-30-4) is a chemical compound with molecular formula C13H6Cl6O2 and molecular weight 403.85 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
六氯酚
3,4,6-trichloro-2-[(2,3,5-trichloro-6-hydroxyphenyl)methyl]phenol
Also Known As: hexachlorophene, Hexachlorofen, Hexachlorophen, Nabac, pHisoHex
| Molecular Formula | C13H6Cl6O2 |
|---|---|
| Molecular Weight | 403.85 g/mol |
| LogP | 7.5 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 405.84695 |
| Heavy Atoms | 21 |
| Complexity | 328.0 |
| Melting Point | 322 to 167.2 °C |
| Boiling Point | 479 |
| Solubility | less than 1 mg/mL at 68 °F (NTP, 1992) |
| Flash Point | 46.1 °C (Tag closed cup) /Isobac/ |
Chemical Identifiers
| CAS Number | 70-30-4 |
|---|---|
| SMILES | C1=C(C(=C(C(=C1Cl)Cl)CC2=C(C(=CC(=C2Cl)Cl)Cl)O)O)Cl |
| InChIKey | ACGUYXCXAPNIKK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
六氯酚 (CAS 70-30-4), with molecular formula C13H6Cl6O2 and molecular weight 403.85 g/mol. IUPAC: 3,4,6-trichloro-2-[(2,3,5-trichloro-6-hydroxyphenyl)methyl]phenol.
Chemical Property Profile of 六氯酚
Property Insights of 六氯酚
The XLogP value of 7.5 indicates that 六氯酚 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.5 Ų, 六氯酚 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 六氯酚 has 2 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 六氯酚?
The CAS number of 六氯酚 is 70-30-4.
What is the molecular formula of 六氯酚?
The molecular formula of 六氯酚 is C13H6Cl6O2.
What is the molecular weight of 六氯酚?
The molecular weight of 六氯酚 is 403.85 g/mol.
Where can I buy 六氯酚?
You can request a quote for 六氯酚 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 六氯酚?
Yes, KEHONG BIO provides custom synthesis services for 六氯酚 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.