NCI60_020930
TL;DR: NCI60_020930 (CAS 39547-34-7) is a chemical compound with molecular formula C12H16F6O2 and molecular weight 306.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-3,5,5-trimethylcyclohex-2-en-1-ol
Also Known As: NCI60_020930, 2-Cyclohexen-1-ol, 6-(1,1,1,3,3,3-hexafluoro-2-hydroxy-2-propyl)-3,5,5-trimethyl-, 3,5,5-Trimethyl-6-(2,2,2-trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl)-2-cyclohexen-1-ol, 6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-3,5,5-trimethylcyclohex-2-en-1-ol, 6-(1,1,1,3,3,3-Hexafluoro-2-hydroxy-2-propyl)-3,5,5-trimethyl-2-cyclohexen-1-ol
| Molecular Formula | C12H16F6O2 |
|---|---|
| Molecular Weight | 306.11 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 1 |
| Exact Mass | 306.10544 |
| Heavy Atoms | 20 |
| Complexity | 393.0 |
Chemical Identifiers
| CAS Number | 39547-34-7 |
|---|---|
| SMILES | CC1=CC(C(C(C1)(C)C)C(C(F)(F)F)(C(F)(F)F)O)O |
| InChIKey | MXANCGMHRZANOV-UHFFFAOYSA-N |
Product Overview
NCI60_020930 (CAS 39547-34-7), with molecular formula C12H16F6O2 and molecular weight 306.11 g/mol. IUPAC: 6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-3,5,5-trimethylcyclohex-2-en-1-ol.
Chemical Property Profile of NCI60_020930
Property Insights of NCI60_020930
The XLogP value of 3.6 indicates that NCI60_020930 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.5 Ų, NCI60_020930 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, NCI60_020930 has 2 hydrogen bond donor(s) and 8 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 NCI60_020930?
The CAS number of NCI60_020930 is 39547-34-7.
What is the molecular formula of NCI60_020930?
The molecular formula of NCI60_020930 is C12H16F6O2.
What is the molecular weight of NCI60_020930?
The molecular weight of NCI60_020930 is 306.11 g/mol.
Where can I buy NCI60_020930?
You can request a quote for NCI60_020930 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for NCI60_020930?
Yes, KEHONG BIO provides custom synthesis services for NCI60_020930 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.