3,5,6-Trichloroperfluorohexanoic acid
TL;DR: 3,5,6-Trichloroperfluorohexanoic acid (CAS 23903-48-2) is a chemical compound with molecular formula C6HCl3F8O2 and molecular weight 361.89 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5,6-trichloro-2,2,3,4,4,5,6,6-octafluorohexanoic acid
Also Known As: 3,5,6-Trichlorooctafluorohexanoic acid, 3,5,6-Trichloro-2,2,3,4,4,5,6,6-octafluorohexanoic acid, C6HCl3F8O2, 3,5,6-Trichloroperfluorohexanoic acid, Perfluoro-3,5,6-trichlorohexanoic acid
| Molecular Formula | C6HCl3F8O2 |
|---|---|
| Molecular Weight | 361.89 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 5 |
| Exact Mass | 361.89145 |
| Heavy Atoms | 19 |
| Complexity | 391.0 |
Chemical Identifiers
| CAS Number | 23903-48-2 |
|---|---|
| SMILES | C(=O)(C(C(C(C(C(F)(F)Cl)(F)Cl)(F)F)(F)Cl)(F)F)O |
| InChIKey | ANRGSWRBGXZQLY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,5,6-Trichloroperfluorohexanoic acid (CAS 23903-48-2), with molecular formula C6HCl3F8O2 and molecular weight 361.89 g/mol. IUPAC: 3,5,6-trichloro-2,2,3,4,4,5,6,6-octafluorohexanoic acid.
Chemical Property Profile of 3,5,6-Trichloroperfluorohexanoic acid
Property Insights of 3,5,6-Trichloroperfluorohexanoic acid
The XLogP value of 4.3 indicates that 3,5,6-Trichloroperfluorohexanoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, 3,5,6-Trichloroperfluorohexanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,5,6-Trichloroperfluorohexanoic acid has 1 hydrogen bond donor(s) and 10 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 3,5,6-Trichloroperfluorohexanoic acid?
The CAS number of 3,5,6-Trichloroperfluorohexanoic acid is 23903-48-2.
What is the molecular formula of 3,5,6-Trichloroperfluorohexanoic acid?
The molecular formula of 3,5,6-Trichloroperfluorohexanoic acid is C6HCl3F8O2.
What is the molecular weight of 3,5,6-Trichloroperfluorohexanoic acid?
The molecular weight of 3,5,6-Trichloroperfluorohexanoic acid is 361.89 g/mol.
Where can I buy 3,5,6-Trichloroperfluorohexanoic acid?
You can request a quote for 3,5,6-Trichloroperfluorohexanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5,6-Trichloroperfluorohexanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3,5,6-Trichloroperfluorohexanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.