RefChem:329226
TL;DR: RefChem:329226 (CAS 63180-06-3) is a chemical compound with molecular formula C14H15F7O2 and molecular weight 348.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,4S)-3-(2,2,3,3,4,4,4-heptafluoro-1-hydroxybutylidene)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one
Also Known As: (1R,4S)-3-(2,2,3,3,4,4,4-HEPTAFLUORO-1-HYDROXYBUTYLIDENE)-1,7,7-TRIMETHYLBICYCLO[2.2.1]HEPTAN-2-ONE, Bicyclo(2.2.1)heptan-2-one, 3-(2,2,3,3,4,4,4-heptafluoro-1-hydroxybutylidene)-1,7,7-trimethyl-, (1R,4S)-, Bicyclo[2.2.1]heptan-2-one, 3-(2,2,3,3,4,4,4-heptafluoro-1-hydroxybutylidene)-1,7,7-trimethyl-, (1R,4S)-, (1S,2E,4R)-2-(2,2,3,3,4,4,4-heptafluoro-1-hydroxybutylidene)-4,7,7-trimethylbicyclo[2.2.1]heptan-3-one, RefChem:329226
| Molecular Formula | C14H15F7O2 |
|---|---|
| Molecular Weight | 348.10 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 2 |
| Exact Mass | 348.09604 |
| Heavy Atoms | 23 |
| Complexity | 588.0 |
Chemical Identifiers
| CAS Number | 63180-06-3 |
|---|---|
| SMILES | C[C@@]12CC[C@@H](C1(C)C)C(=C(C(C(C(F)(F)F)(F)F)(F)F)O)C2=O |
| InChIKey | KAYHPSDEMCKVKU-KBUNVGBDSA-N |
Product Overview
RefChem:329226 (CAS 63180-06-3), with molecular formula C14H15F7O2 and molecular weight 348.10 g/mol. IUPAC: (1R,4S)-3-(2,2,3,3,4,4,4-heptafluoro-1-hydroxybutylidene)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one.
Chemical Property Profile of RefChem:329226
Property Insights of RefChem:329226
The XLogP value of 4.7 indicates that RefChem:329226 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, RefChem:329226 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:329226 has 1 hydrogen bond donor(s) and 9 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 RefChem:329226?
The CAS number of RefChem:329226 is 63180-06-3.
What is the molecular formula of RefChem:329226?
The molecular formula of RefChem:329226 is C14H15F7O2.
What is the molecular weight of RefChem:329226?
The molecular weight of RefChem:329226 is 348.10 g/mol.
Where can I buy RefChem:329226?
You can request a quote for RefChem:329226 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:329226?
Yes, KEHONG BIO provides custom synthesis services for RefChem:329226 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.