2,4-Heptanediol, 7-chloro-1,1,1-trifluoro-2-(trifluoromethyl)-
TL;DR: 2,4-Heptanediol, 7-chloro-1,1,1-trifluoro-2-(trifluoromethyl)- (CAS 101913-68-2) is a chemical compound with molecular formula C8H11ClF6O2 and molecular weight 288.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-chloro-1,1,1-trifluoro-2-(trifluoromethyl)heptane-2,4-diol
Also Known As: 7-chloro-1,1,1-trifluoro-2-(trifluoromethyl)heptane-2,4-diol, 7-Chloro-1,1,1-trifluoro-2-trifluoromethylheptan-2,4-diol, 2,4-HEPTANEDIOL, 7-CHLORO-1,1,1-TRIFLUORO-2-(TRIFLUOROMETHYL)-, 7-Chloro-1,1,1-trifluoro-2-(trifluoromethyl)-2,4-heptanediol, RefChem:1059812
| Molecular Formula | C8H11ClF6O2 |
|---|---|
| Molecular Weight | 288.04 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 288.0352 |
| Heavy Atoms | 17 |
| Complexity | 225.0 |
Chemical Identifiers
| CAS Number | 101913-68-2 |
|---|---|
| SMILES | C(CC(CC(C(F)(F)F)(C(F)(F)F)O)O)CCl |
| InChIKey | PJCDWTGBDBTSLG-UHFFFAOYSA-N |
Product Overview
2,4-Heptanediol, 7-chloro-1,1,1-trifluoro-2-(trifluoromethyl)- (CAS 101913-68-2), with molecular formula C8H11ClF6O2 and molecular weight 288.04 g/mol. IUPAC: 7-chloro-1,1,1-trifluoro-2-(trifluoromethyl)heptane-2,4-diol.
Chemical Property Profile of 2,4-Heptanediol, 7-chloro-1,1,1-trifluoro-2-(trifluoromethyl)-
Property Insights of 2,4-Heptanediol, 7-chloro-1,1,1-trifluoro-2-(trifluoromethyl)-
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,4-Heptanediol, 7-chloro-1,1,1-trifluoro-2-(trifluoromethyl)-. With a topological polar surface area (TPSA) of 40.5 Ų, 2,4-Heptanediol, 7-chloro-1,1,1-trifluoro-2-(trifluoromethyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4-Heptanediol, 7-chloro-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 2,4-Heptanediol, 7-chloro-1,1,1-trifluoro-2-(trifluoromethyl)-?
The CAS number of 2,4-Heptanediol, 7-chloro-1,1,1-trifluoro-2-(trifluoromethyl)- is 101913-68-2.
What is the molecular formula of 2,4-Heptanediol, 7-chloro-1,1,1-trifluoro-2-(trifluoromethyl)-?
The molecular formula of 2,4-Heptanediol, 7-chloro-1,1,1-trifluoro-2-(trifluoromethyl)- is C8H11ClF6O2.
What is the molecular weight of 2,4-Heptanediol, 7-chloro-1,1,1-trifluoro-2-(trifluoromethyl)-?
The molecular weight of 2,4-Heptanediol, 7-chloro-1,1,1-trifluoro-2-(trifluoromethyl)- is 288.04 g/mol.
Where can I buy 2,4-Heptanediol, 7-chloro-1,1,1-trifluoro-2-(trifluoromethyl)-?
You can request a quote for 2,4-Heptanediol, 7-chloro-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 2,4-Heptanediol, 7-chloro-1,1,1-trifluoro-2-(trifluoromethyl)-?
Yes, KEHONG BIO provides custom synthesis services for 2,4-Heptanediol, 7-chloro-1,1,1-trifluoro-2-(trifluoromethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.