1,2,4-Trichloro-1,1,2,3,3,4,4-heptafluorobutane
TL;DR: 1,2,4-Trichloro-1,1,2,3,3,4,4-heptafluorobutane (CAS 335-45-5) is a chemical compound with molecular formula C4Cl3F7 and molecular weight 285.90 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,2,4-trichloro-1,1,2,3,3,4,4-heptafluorobutane
Also Known As: 1,2,4-Trichloro-perfluorobutane, Butane,1,2,4-trichloro-heptafluoro-, 1,2,4-Trichloro-1,1,2,3,3,4,4-heptafluorobutane, J2.716.421H, 1,2,4-Trichloro-1,1,2,3,3,4,4-heptafluorobutane #
| Molecular Formula | C4Cl3F7 |
|---|---|
| Molecular Weight | 285.90 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 285.8954 |
| Heavy Atoms | 14 |
| Complexity | 229.0 |
Chemical Identifiers
| CAS Number | 335-45-5 |
|---|---|
| SMILES | C(C(C(F)(F)Cl)(F)Cl)(C(F)(F)Cl)(F)F |
| InChIKey | ONLOQRGXSZNCQH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,2,4-Trichloro-1,1,2,3,3,4,4-heptafluorobutane (CAS 335-45-5), with molecular formula C4Cl3F7 and molecular weight 285.90 g/mol. IUPAC: 1,2,4-trichloro-1,1,2,3,3,4,4-heptafluorobutane.
Chemical Property Profile of 1,2,4-Trichloro-1,1,2,3,3,4,4-heptafluorobutane
Property Insights of 1,2,4-Trichloro-1,1,2,3,3,4,4-heptafluorobutane
The XLogP value of 4.5 indicates that 1,2,4-Trichloro-1,1,2,3,3,4,4-heptafluorobutane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 1,2,4-Trichloro-1,1,2,3,3,4,4-heptafluorobutane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2,4-Trichloro-1,1,2,3,3,4,4-heptafluorobutane 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 1,2,4-Trichloro-1,1,2,3,3,4,4-heptafluorobutane?
The CAS number of 1,2,4-Trichloro-1,1,2,3,3,4,4-heptafluorobutane is 335-45-5.
What is the molecular formula of 1,2,4-Trichloro-1,1,2,3,3,4,4-heptafluorobutane?
The molecular formula of 1,2,4-Trichloro-1,1,2,3,3,4,4-heptafluorobutane is C4Cl3F7.
What is the molecular weight of 1,2,4-Trichloro-1,1,2,3,3,4,4-heptafluorobutane?
The molecular weight of 1,2,4-Trichloro-1,1,2,3,3,4,4-heptafluorobutane is 285.90 g/mol.
Where can I buy 1,2,4-Trichloro-1,1,2,3,3,4,4-heptafluorobutane?
You can request a quote for 1,2,4-Trichloro-1,1,2,3,3,4,4-heptafluorobutane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2,4-Trichloro-1,1,2,3,3,4,4-heptafluorobutane?
Yes, KEHONG BIO provides custom synthesis services for 1,2,4-Trichloro-1,1,2,3,3,4,4-heptafluorobutane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.