5-Heptene-2,4-diol, 1-chloro-1,1-difluoro-6-methyl-2-(trifluoromethyl)-
TL;DR: 5-Heptene-2,4-diol, 1-chloro-1,1-difluoro-6-methyl-2-(trifluoromethyl)- (CAS 34844-49-0) is a chemical compound with molecular formula C9H12ClF5O2 and molecular weight 282.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-chloro-1,1-difluoro-6-methyl-2-(trifluoromethyl)hept-5-ene-2,4-diol
Also Known As: 1-Chloro-1,1-difluoro-6-methyl-2-trifluoromethyl-5-heptene-2,4-diol, 5-HEPTENE-2,4-DIOL, 1-CHLORO-1,1-DIFLUORO-6-METHYL-2-(TRIFLUOROMETHYL)-, 1-chloro-1,1-difluoro-6-methyl-2-(trifluoromethyl)hept-5-ene-2,4-diol, 1-Chloro-1,1-difluoro-6-methyl-2-(trifluoromethyl)-5-heptene-2,4-diol, RefChem:1072945
| Molecular Formula | C9H12ClF5O2 |
|---|---|
| Molecular Weight | 282.04 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 282.0446 |
| Heavy Atoms | 17 |
| Complexity | 298.0 |
Chemical Identifiers
| CAS Number | 34844-49-0 |
|---|---|
| SMILES | CC(=CC(CC(C(F)(F)F)(C(F)(F)Cl)O)O)C |
| InChIKey | HDOWUJIINVFPRZ-UHFFFAOYSA-N |
Product Overview
5-Heptene-2,4-diol, 1-chloro-1,1-difluoro-6-methyl-2-(trifluoromethyl)- (CAS 34844-49-0), with molecular formula C9H12ClF5O2 and molecular weight 282.04 g/mol. IUPAC: 1-chloro-1,1-difluoro-6-methyl-2-(trifluoromethyl)hept-5-ene-2,4-diol.
Chemical Property Profile of 5-Heptene-2,4-diol, 1-chloro-1,1-difluoro-6-methyl-2-(trifluoromethyl)-
Property Insights of 5-Heptene-2,4-diol, 1-chloro-1,1-difluoro-6-methyl-2-(trifluoromethyl)-
The XLogP value of 3.1 indicates that 5-Heptene-2,4-diol, 1-chloro-1,1-difluoro-6-methyl-2-(trifluoromethyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.5 Ų, 5-Heptene-2,4-diol, 1-chloro-1,1-difluoro-6-methyl-2-(trifluoromethyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Heptene-2,4-diol, 1-chloro-1,1-difluoro-6-methyl-2-(trifluoromethyl)- has 2 hydrogen bond donor(s) and 7 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, 1-chloro-1,1-difluoro-6-methyl-2-(trifluoromethyl)-?
The CAS number of 5-Heptene-2,4-diol, 1-chloro-1,1-difluoro-6-methyl-2-(trifluoromethyl)- is 34844-49-0.
What is the molecular formula of 5-Heptene-2,4-diol, 1-chloro-1,1-difluoro-6-methyl-2-(trifluoromethyl)-?
The molecular formula of 5-Heptene-2,4-diol, 1-chloro-1,1-difluoro-6-methyl-2-(trifluoromethyl)- is C9H12ClF5O2.
What is the molecular weight of 5-Heptene-2,4-diol, 1-chloro-1,1-difluoro-6-methyl-2-(trifluoromethyl)-?
The molecular weight of 5-Heptene-2,4-diol, 1-chloro-1,1-difluoro-6-methyl-2-(trifluoromethyl)- is 282.04 g/mol.
Where can I buy 5-Heptene-2,4-diol, 1-chloro-1,1-difluoro-6-methyl-2-(trifluoromethyl)-?
You can request a quote for 5-Heptene-2,4-diol, 1-chloro-1,1-difluoro-6-methyl-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, 1-chloro-1,1-difluoro-6-methyl-2-(trifluoromethyl)-?
Yes, KEHONG BIO provides custom synthesis services for 5-Heptene-2,4-diol, 1-chloro-1,1-difluoro-6-methyl-2-(trifluoromethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.