4-(Heptafluoroisopropyl)toluene
TL;DR: 4-(Heptafluoroisopropyl)toluene (CAS 2396-26-1) is a chemical compound with molecular formula C10H7F7 and molecular weight 260.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-4-methylbenzene
Also Known As: 4-(Heptafluoroisopropyl)toluene, null, 1-Methyl-4-(perfluoropropan-2-yl)benzene, p-(Heptafluoroisopropyl)toluene, 4-(Heptafluoroisipropyl)toluene
| Molecular Formula | C10H7F7 |
|---|---|
| Molecular Weight | 260.04 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 1 |
| Exact Mass | 260.0436 |
| Heavy Atoms | 17 |
| Complexity | 243.0 |
Chemical Identifiers
| CAS Number | 2396-26-1 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(C(F)(F)F)(C(F)(F)F)F |
| InChIKey | XEFRSBQTXVJYKZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-(Heptafluoroisopropyl)toluene (CAS 2396-26-1), with molecular formula C10H7F7 and molecular weight 260.04 g/mol. IUPAC: 1-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-4-methylbenzene.
Chemical Property Profile of 4-(Heptafluoroisopropyl)toluene
Property Insights of 4-(Heptafluoroisopropyl)toluene
The XLogP value of 4.5 indicates that 4-(Heptafluoroisopropyl)toluene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 4-(Heptafluoroisopropyl)toluene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(Heptafluoroisopropyl)toluene 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 4-(Heptafluoroisopropyl)toluene?
The CAS number of 4-(Heptafluoroisopropyl)toluene is 2396-26-1.
What is the molecular formula of 4-(Heptafluoroisopropyl)toluene?
The molecular formula of 4-(Heptafluoroisopropyl)toluene is C10H7F7.
What is the molecular weight of 4-(Heptafluoroisopropyl)toluene?
The molecular weight of 4-(Heptafluoroisopropyl)toluene is 260.04 g/mol.
Where can I buy 4-(Heptafluoroisopropyl)toluene?
You can request a quote for 4-(Heptafluoroisopropyl)toluene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Heptafluoroisopropyl)toluene?
Yes, KEHONG BIO provides custom synthesis services for 4-(Heptafluoroisopropyl)toluene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.