5-Heptene-2,4-diol, 6-methyl-1,1,1-trifluoro-2-(trifluoromethyl)-
TL;DR: 5-Heptene-2,4-diol, 6-methyl-1,1,1-trifluoro-2-(trifluoromethyl)- (CAS 34844-50-3) is a chemical compound with molecular formula C9H12F6O2 and molecular weight 266.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1,1-trifluoro-6-methyl-2-(trifluoromethyl)hept-5-ene-2,4-diol
Also Known As: 6-Methyl-1,1,1-trifluoro-2-trifluoromethyl-5-heptene-2,4-diol, 1,1,1-trifluoro-6-methyl-2-(trifluoromethyl)hept-5-ene-2,4-diol, 5-HEPTENE-2,4-DIOL, 6-METHYL-1,1,1-TRIFLUORO-2-(TRIFLUOROMETHYL)-, 6-Methyl-1,1,1-trifluoro-2-(trifluoromethyl)-5-heptene-2,4-diol, RefChem:1072946
| Molecular Formula | C9H12F6O2 |
|---|---|
| Molecular Weight | 266.07 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 266.07416 |
| Heavy Atoms | 17 |
| Complexity | 273.0 |
Chemical Identifiers
| CAS Number | 34844-50-3 |
|---|---|
| SMILES | CC(=CC(CC(C(F)(F)F)(C(F)(F)F)O)O)C |
| InChIKey | RQLUTZGKUKGXRM-UHFFFAOYSA-N |
Product Overview
5-Heptene-2,4-diol, 6-methyl-1,1,1-trifluoro-2-(trifluoromethyl)- (CAS 34844-50-3), with molecular formula C9H12F6O2 and molecular weight 266.07 g/mol. IUPAC: 1,1,1-trifluoro-6-methyl-2-(trifluoromethyl)hept-5-ene-2,4-diol.
Chemical Property Profile of 5-Heptene-2,4-diol, 6-methyl-1,1,1-trifluoro-2-(trifluoromethyl)-
Property Insights of 5-Heptene-2,4-diol, 6-methyl-1,1,1-trifluoro-2-(trifluoromethyl)-
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Heptene-2,4-diol, 6-methyl-1,1,1-trifluoro-2-(trifluoromethyl)-. With a topological polar surface area (TPSA) of 40.5 Ų, 5-Heptene-2,4-diol, 6-methyl-1,1,1-trifluoro-2-(trifluoromethyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Heptene-2,4-diol, 6-methyl-1,1,1-trifluoro-2-(trifluoromethyl)- 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 5-Heptene-2,4-diol, 6-methyl-1,1,1-trifluoro-2-(trifluoromethyl)-?
The CAS number of 5-Heptene-2,4-diol, 6-methyl-1,1,1-trifluoro-2-(trifluoromethyl)- is 34844-50-3.
What is the molecular formula of 5-Heptene-2,4-diol, 6-methyl-1,1,1-trifluoro-2-(trifluoromethyl)-?
The molecular formula of 5-Heptene-2,4-diol, 6-methyl-1,1,1-trifluoro-2-(trifluoromethyl)- is C9H12F6O2.
What is the molecular weight of 5-Heptene-2,4-diol, 6-methyl-1,1,1-trifluoro-2-(trifluoromethyl)-?
The molecular weight of 5-Heptene-2,4-diol, 6-methyl-1,1,1-trifluoro-2-(trifluoromethyl)- is 266.07 g/mol.
Where can I buy 5-Heptene-2,4-diol, 6-methyl-1,1,1-trifluoro-2-(trifluoromethyl)-?
You can request a quote for 5-Heptene-2,4-diol, 6-methyl-1,1,1-trifluoro-2-(trifluoromethyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Heptene-2,4-diol, 6-methyl-1,1,1-trifluoro-2-(trifluoromethyl)-?
Yes, KEHONG BIO provides custom synthesis services for 5-Heptene-2,4-diol, 6-methyl-1,1,1-trifluoro-2-(trifluoromethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.