1,1,1,4,4,4-Hexafluoro-2,3-bis(4-methylphenyl)butane-2,3-diol
TL;DR: 1,1,1,4,4,4-Hexafluoro-2,3-bis(4-methylphenyl)butane-2,3-diol (CAS 59845-86-2) is a chemical compound with molecular formula C18H16F6O2 and molecular weight 378.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1,1,4,4,4-hexafluoro-2,3-bis(4-methylphenyl)butane-2,3-diol
Also Known As: 1,1,1,4,4,4-hexafluoro-2,3-bis(4-methylphenyl)butane-2,3-diol
| Molecular Formula | C18H16F6O2 |
|---|---|
| Molecular Weight | 378.11 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 378.10544 |
| Heavy Atoms | 26 |
| Complexity | 431.0 |
Chemical Identifiers
| CAS Number | 59845-86-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(C(C2=CC=C(C=C2)C)(C(F)(F)F)O)(C(F)(F)F)O |
| InChIKey | PNGDXJSMGGINQB-UHFFFAOYSA-N |
Product Overview
1,1,1,4,4,4-Hexafluoro-2,3-bis(4-methylphenyl)butane-2,3-diol (CAS 59845-86-2), with molecular formula C18H16F6O2 and molecular weight 378.11 g/mol. IUPAC: 1,1,1,4,4,4-hexafluoro-2,3-bis(4-methylphenyl)butane-2,3-diol.
Chemical Property Profile of 1,1,1,4,4,4-Hexafluoro-2,3-bis(4-methylphenyl)butane-2,3-diol
Property Insights of 1,1,1,4,4,4-Hexafluoro-2,3-bis(4-methylphenyl)butane-2,3-diol
The XLogP value of 4.5 indicates that 1,1,1,4,4,4-Hexafluoro-2,3-bis(4-methylphenyl)butane-2,3-diol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.5 Ų, 1,1,1,4,4,4-Hexafluoro-2,3-bis(4-methylphenyl)butane-2,3-diol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,1,1,4,4,4-Hexafluoro-2,3-bis(4-methylphenyl)butane-2,3-diol has 2 hydrogen bond donor(s) and 8 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 1,1,1,4,4,4-Hexafluoro-2,3-bis(4-methylphenyl)butane-2,3-diol?
The CAS number of 1,1,1,4,4,4-Hexafluoro-2,3-bis(4-methylphenyl)butane-2,3-diol is 59845-86-2.
What is the molecular formula of 1,1,1,4,4,4-Hexafluoro-2,3-bis(4-methylphenyl)butane-2,3-diol?
The molecular formula of 1,1,1,4,4,4-Hexafluoro-2,3-bis(4-methylphenyl)butane-2,3-diol is C18H16F6O2.
What is the molecular weight of 1,1,1,4,4,4-Hexafluoro-2,3-bis(4-methylphenyl)butane-2,3-diol?
The molecular weight of 1,1,1,4,4,4-Hexafluoro-2,3-bis(4-methylphenyl)butane-2,3-diol is 378.11 g/mol.
Where can I buy 1,1,1,4,4,4-Hexafluoro-2,3-bis(4-methylphenyl)butane-2,3-diol?
You can request a quote for 1,1,1,4,4,4-Hexafluoro-2,3-bis(4-methylphenyl)butane-2,3-diol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1,1,4,4,4-Hexafluoro-2,3-bis(4-methylphenyl)butane-2,3-diol?
Yes, KEHONG BIO provides custom synthesis services for 1,1,1,4,4,4-Hexafluoro-2,3-bis(4-methylphenyl)butane-2,3-diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.