4,4'-Propane-2,2-diylbis(2,3,6-trichlorophenol)
TL;DR: 4,4'-Propane-2,2-diylbis(2,3,6-trichlorophenol) (CAS 5676-82-4) is a chemical compound with molecular formula C15H10Cl6O2 and molecular weight 431.88 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3,6-trichloro-4-[2-(2,3,5-trichloro-4-hydroxyphenyl)propan-2-yl]phenol
Also Known As: 4,4'-propane-2,2-diylbis(2,3,6-trichlorophenol), 4,4'-(Propane-2,2-diyl)bis(2,3,6-trichlorophenol), 2,3,6-trichloro-4-[2-(2,3,5-trichloro-4-hydroxyphenyl)propan-2-yl]phenol
| Molecular Formula | C15H10Cl6O2 |
|---|---|
| Molecular Weight | 431.88 g/mol |
| LogP | 7.8 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 431.8812 |
| Heavy Atoms | 23 |
| Complexity | 387.0 |
Chemical Identifiers
| CAS Number | 5676-82-4 |
|---|---|
| SMILES | CC(C)(C1=CC(=C(C(=C1Cl)Cl)O)Cl)C2=CC(=C(C(=C2Cl)Cl)O)Cl |
| InChIKey | MLBNSKVIHBUKSJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4,4'-Propane-2,2-diylbis(2,3,6-trichlorophenol) (CAS 5676-82-4), with molecular formula C15H10Cl6O2 and molecular weight 431.88 g/mol. IUPAC: 2,3,6-trichloro-4-[2-(2,3,5-trichloro-4-hydroxyphenyl)propan-2-yl]phenol.
Chemical Property Profile of 4,4'-Propane-2,2-diylbis(2,3,6-trichlorophenol)
Property Insights of 4,4'-Propane-2,2-diylbis(2,3,6-trichlorophenol)
The XLogP value of 7.8 indicates that 4,4'-Propane-2,2-diylbis(2,3,6-trichlorophenol) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.5 Ų, 4,4'-Propane-2,2-diylbis(2,3,6-trichlorophenol) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,4'-Propane-2,2-diylbis(2,3,6-trichlorophenol) 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 4,4'-Propane-2,2-diylbis(2,3,6-trichlorophenol)?
The CAS number of 4,4'-Propane-2,2-diylbis(2,3,6-trichlorophenol) is 5676-82-4.
What is the molecular formula of 4,4'-Propane-2,2-diylbis(2,3,6-trichlorophenol)?
The molecular formula of 4,4'-Propane-2,2-diylbis(2,3,6-trichlorophenol) is C15H10Cl6O2.
What is the molecular weight of 4,4'-Propane-2,2-diylbis(2,3,6-trichlorophenol)?
The molecular weight of 4,4'-Propane-2,2-diylbis(2,3,6-trichlorophenol) is 431.88 g/mol.
Where can I buy 4,4'-Propane-2,2-diylbis(2,3,6-trichlorophenol)?
You can request a quote for 4,4'-Propane-2,2-diylbis(2,3,6-trichlorophenol) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,4'-Propane-2,2-diylbis(2,3,6-trichlorophenol)?
Yes, KEHONG BIO provides custom synthesis services for 4,4'-Propane-2,2-diylbis(2,3,6-trichlorophenol) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.