3-(Azepan-1-yl)-1,1,1-trifluoropropan-2-ol
TL;DR: 3-(Azepan-1-yl)-1,1,1-trifluoropropan-2-ol (CAS 672952-07-7) is a chemical compound with molecular formula C9H16F3NO and molecular weight 211.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(azepan-1-yl)-1,1,1-trifluoropropan-2-ol
Also Known As: 3-(azepan-1-yl)-1,1,1-trifluoropropan-2-ol, azepanyltrifluoropropanol, 3-(1-azepanyl)-1,1,1-trifluoro-2-propanol, 3-(azepan-1-yl)-1,1,1-trifluoro-propan-2-ol, 6P-097
| Molecular Formula | C9H16F3NO |
|---|---|
| Molecular Weight | 211.12 g/mol |
| LogP | 1.7856 |
| Topological Polar Surface Area | 23.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 211.1184 |
| Heavy Atoms | 14 |
| Complexity | 163.93022 |
Chemical Identifiers
| CAS Number | 672952-07-7 |
|---|---|
| SMILES | C1CCCN(CC1)CC(C(F)(F)F)O |
Product Overview
3-(Azepan-1-yl)-1,1,1-trifluoropropan-2-ol (CAS 672952-07-7), with molecular formula C9H16F3NO and molecular weight 211.12 g/mol. IUPAC: 3-(azepan-1-yl)-1,1,1-trifluoropropan-2-ol.
Chemical Property Profile of 3-(Azepan-1-yl)-1,1,1-trifluoropropan-2-ol
Property Insights of 3-(Azepan-1-yl)-1,1,1-trifluoropropan-2-ol
The XLogP value of 1.7856 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Azepan-1-yl)-1,1,1-trifluoropropan-2-ol. With a topological polar surface area (TPSA) of 23.47 Ų, 3-(Azepan-1-yl)-1,1,1-trifluoropropan-2-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Azepan-1-yl)-1,1,1-trifluoropropan-2-ol has 1 hydrogen bond donor(s) and 2 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 3-(Azepan-1-yl)-1,1,1-trifluoropropan-2-ol?
The CAS number of 3-(Azepan-1-yl)-1,1,1-trifluoropropan-2-ol is 672952-07-7.
What is the molecular formula of 3-(Azepan-1-yl)-1,1,1-trifluoropropan-2-ol?
The molecular formula of 3-(Azepan-1-yl)-1,1,1-trifluoropropan-2-ol is C9H16F3NO.
What is the molecular weight of 3-(Azepan-1-yl)-1,1,1-trifluoropropan-2-ol?
The molecular weight of 3-(Azepan-1-yl)-1,1,1-trifluoropropan-2-ol is 211.12 g/mol.
Where can I buy 3-(Azepan-1-yl)-1,1,1-trifluoropropan-2-ol?
You can request a quote for 3-(Azepan-1-yl)-1,1,1-trifluoropropan-2-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Azepan-1-yl)-1,1,1-trifluoropropan-2-ol?
Yes, KEHONG BIO provides custom synthesis services for 3-(Azepan-1-yl)-1,1,1-trifluoropropan-2-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.