alpha,alpha,alpha,2,3,5,6-Heptafluoro-p-xylene
TL;DR: alpha,alpha,alpha,2,3,5,6-Heptafluoro-p-xylene (CAS 778-35-8) is a chemical compound with molecular formula C8H3F7 and molecular weight 232.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,2,4,5-tetrafluoro-3-methyl-6-(trifluoromethyl)benzene
Also Known As: 4-Methylheptafluorotoluene, alpha,alpha,alpha,2,3,5,6-Heptafluoro-p-xylene, 1,2,4,5-Tetrafluoro-3-methyl-6-(trifluoromethyl)benzene, 4-Methyl-2,3,5,6-tetrafluorobenzotrifluoride, 4-methylhepta-fluorotoluene
| Molecular Formula | C8H3F7 |
|---|---|
| Molecular Weight | 232.01 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 0 |
| Exact Mass | 232.0123 |
| Heavy Atoms | 15 |
| Complexity | 210.0 |
Chemical Identifiers
| CAS Number | 778-35-8 |
|---|---|
| SMILES | CC1=C(C(=C(C(=C1F)F)C(F)(F)F)F)F |
| InChIKey | JBZHWNXMZYBXDQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
alpha,alpha,alpha,2,3,5,6-Heptafluoro-p-xylene (CAS 778-35-8), with molecular formula C8H3F7 and molecular weight 232.01 g/mol. IUPAC: 1,2,4,5-tetrafluoro-3-methyl-6-(trifluoromethyl)benzene.
Chemical Property Profile of alpha,alpha,alpha,2,3,5,6-Heptafluoro-p-xylene
Property Insights of alpha,alpha,alpha,2,3,5,6-Heptafluoro-p-xylene
The XLogP value of 3.6 indicates that alpha,alpha,alpha,2,3,5,6-Heptafluoro-p-xylene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, alpha,alpha,alpha,2,3,5,6-Heptafluoro-p-xylene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, alpha,alpha,alpha,2,3,5,6-Heptafluoro-p-xylene has 0 hydrogen bond donor(s) and 7 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 alpha,alpha,alpha,2,3,5,6-Heptafluoro-p-xylene?
The CAS number of alpha,alpha,alpha,2,3,5,6-Heptafluoro-p-xylene is 778-35-8.
What is the molecular formula of alpha,alpha,alpha,2,3,5,6-Heptafluoro-p-xylene?
The molecular formula of alpha,alpha,alpha,2,3,5,6-Heptafluoro-p-xylene is C8H3F7.
What is the molecular weight of alpha,alpha,alpha,2,3,5,6-Heptafluoro-p-xylene?
The molecular weight of alpha,alpha,alpha,2,3,5,6-Heptafluoro-p-xylene is 232.01 g/mol.
Where can I buy alpha,alpha,alpha,2,3,5,6-Heptafluoro-p-xylene?
You can request a quote for alpha,alpha,alpha,2,3,5,6-Heptafluoro-p-xylene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for alpha,alpha,alpha,2,3,5,6-Heptafluoro-p-xylene?
Yes, KEHONG BIO provides custom synthesis services for alpha,alpha,alpha,2,3,5,6-Heptafluoro-p-xylene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.