![2-[4-[5-(Trifluoromethyl)pyridin-2-yl]-1,4-diazepan-1-yl]ethanol structure](/static/products/6464/646455-70-1.webp)
2-[4-[5-(Trifluoromethyl)pyridin-2-yl]-1,4-diazepan-1-yl]ethanol
TL;DR: 2-[4-[5-(Trifluoromethyl)pyridin-2-yl]-1,4-diazepan-1-yl]ethanol (CAS 646455-70-1) is a chemical compound with molecular formula C13H18F3N3O and molecular weight 289.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl]ethanol
Also Known As: 2-{4-[5-(Trifluoromethyl)pyridin-2-yl]homopiperazin-1-yl}ethan-1-ol, 2-[4-[5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepan-1-yl]ethanol, 2-{4-[5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepan-1-yl}ethan-1-ol, 2-{4-[5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepan-1-yl}ethanol
| Molecular Formula | C13H18F3N3O |
|---|---|
| Molecular Weight | 289.14 g/mol |
| LogP | 1.6048 |
| Topological Polar Surface Area | 39.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 289.1402 |
| Heavy Atoms | 20 |
| Complexity | 421.86472 |
Chemical Identifiers
| CAS Number | 646455-70-1 |
|---|---|
| SMILES | C1CN(CCN(C1)C2=NC=C(C=C2)C(F)(F)F)CCO |
Product Overview
2-[4-[5-(Trifluoromethyl)pyridin-2-yl]-1,4-diazepan-1-yl]ethanol (CAS 646455-70-1), with molecular formula C13H18F3N3O and molecular weight 289.14 g/mol. IUPAC: 2-[4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl]ethanol.
Chemical Property Profile of 2-[4-[5-(Trifluoromethyl)pyridin-2-yl]-1,4-diazepan-1-yl]ethanol
Property Insights of 2-[4-[5-(Trifluoromethyl)pyridin-2-yl]-1,4-diazepan-1-yl]ethanol
The XLogP value of 1.6048 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[4-[5-(Trifluoromethyl)pyridin-2-yl]-1,4-diazepan-1-yl]ethanol. With a topological polar surface area (TPSA) of 39.6 Ų, 2-[4-[5-(Trifluoromethyl)pyridin-2-yl]-1,4-diazepan-1-yl]ethanol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[4-[5-(Trifluoromethyl)pyridin-2-yl]-1,4-diazepan-1-yl]ethanol has 1 hydrogen bond donor(s) and 4 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-[5-(Trifluoromethyl)pyridin-2-yl]-1,4-diazepan-1-yl]ethanol?
The CAS number of 2-[4-[5-(Trifluoromethyl)pyridin-2-yl]-1,4-diazepan-1-yl]ethanol is 646455-70-1.
What is the molecular formula of 2-[4-[5-(Trifluoromethyl)pyridin-2-yl]-1,4-diazepan-1-yl]ethanol?
The molecular formula of 2-[4-[5-(Trifluoromethyl)pyridin-2-yl]-1,4-diazepan-1-yl]ethanol is C13H18F3N3O.
What is the molecular weight of 2-[4-[5-(Trifluoromethyl)pyridin-2-yl]-1,4-diazepan-1-yl]ethanol?
The molecular weight of 2-[4-[5-(Trifluoromethyl)pyridin-2-yl]-1,4-diazepan-1-yl]ethanol is 289.14 g/mol.
Where can I buy 2-[4-[5-(Trifluoromethyl)pyridin-2-yl]-1,4-diazepan-1-yl]ethanol?
You can request a quote for 2-[4-[5-(Trifluoromethyl)pyridin-2-yl]-1,4-diazepan-1-yl]ethanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[4-[5-(Trifluoromethyl)pyridin-2-yl]-1,4-diazepan-1-yl]ethanol?
Yes, KEHONG BIO provides custom synthesis services for 2-[4-[5-(Trifluoromethyl)pyridin-2-yl]-1,4-diazepan-1-yl]ethanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.