RefChem:568301
TL;DR: RefChem:568301 (CAS 62859-26-1) is a chemical compound with molecular formula C12H15F3O2 and molecular weight 248.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,4S)-1,7,7-trimethyl-3-(2,2,2-trifluoro-1-hydroxyethylidene)bicyclo[2.2.1]heptan-2-one
Also Known As: Bicyclo[2.2.1]heptan-2-one, 1,7,7-trimethyl-3-(2,2,2-trifluoro-1-hydroxyethylidene)-, (1R,4S)-, (1R,3E,4S)-1,7,7-trimethyl-3-(2,2,2-trifluoro-1-hydroxy-ethylidene)norbornan-2-one, (1R,4S)-1,7,7-TRIMETHYL-3-(2,2,2-TRIFLUORO-1-HYDROXYETHYLIDENE)BICYCLO[2.2.1]HEPTAN-2-ONE, Bicyclo(2.2.1)heptan-2-one, 1,7,7-trimethyl-3-(2,2,2-trifluoro-1-hydroxyethylidene)-, (1R,4S)-, Bicyclo[2.2.1]heptan-2-one, 1,7,7-trimethyl-3-(2,2,2-trifluoro-1-hydroxyethylidene)-, [1R-(1.alpha.,4.alpha.)]-
| Molecular Formula | C12H15F3O2 |
|---|---|
| Molecular Weight | 248.10 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 248.10242 |
| Heavy Atoms | 17 |
| Complexity | 420.0 |
Chemical Identifiers
| CAS Number | 62859-26-1 |
|---|---|
| SMILES | C[C@@]12CC[C@@H](C1(C)C)C(=C(C(F)(F)F)O)C2=O |
| InChIKey | VTCJAHCGQQPSAH-KBUNVGBDSA-N |
Product Overview
RefChem:568301 (CAS 62859-26-1), with molecular formula C12H15F3O2 and molecular weight 248.10 g/mol. IUPAC: (1R,4S)-1,7,7-trimethyl-3-(2,2,2-trifluoro-1-hydroxyethylidene)bicyclo[2.2.1]heptan-2-one.
Chemical Property Profile of RefChem:568301
Property Insights of RefChem:568301
The XLogP value of 3.4 indicates that RefChem:568301 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:568301 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:568301 has 1 hydrogen bond donor(s) and 5 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:568301?
The CAS number of RefChem:568301 is 62859-26-1.
What is the molecular formula of RefChem:568301?
The molecular formula of RefChem:568301 is C12H15F3O2.
What is the molecular weight of RefChem:568301?
The molecular weight of RefChem:568301 is 248.10 g/mol.
Where can I buy RefChem:568301?
You can request a quote for RefChem:568301 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:568301?
Yes, KEHONG BIO provides custom synthesis services for RefChem:568301 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.