C17H22F3NO2
TL;DR: C17H22F3NO2 (CAS 836685-77-9) is a chemical compound with molecular formula C17H22F3NO2 and molecular weight 329.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2,2-trifluoro-1-[(1R,6R,8S)-spiro[11-oxa-3-azatricyclo[6.2.1.01,6]undec-9-ene-4,1'-cycloheptane]-3-yl]ethanone
Also Known As: 2,2,2-trifluoro-1-((4aR,6S,8aR)-4,4a,5,6-tetrahydrospiro[6,8a-epoxyisoquinoline-3,1'-cycloheptan]-2(1H)-yl)ethanone, 2,2,2-trifluoro-1-[(4a'R,6'S,8a'R)-4',4a',5',6'-tetrahydrospiro[cycloheptane-1,3'-[9]oxa[2]aza[6,8a]epoxyisoquinolin]-2'(1'H)-yl]ethanone
| Molecular Formula | C17H22F3NO2 |
|---|---|
| Molecular Weight | 329.16 g/mol |
| LogP | 3.5877 |
| Topological Polar Surface Area | 29.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 329.16028 |
| Heavy Atoms | 23 |
| Complexity | 536.4468 |
Chemical Identifiers
| CAS Number | 836685-77-9 |
|---|---|
| SMILES | C1CCCC2(CC1)C[C@@H]3C[C@H]4C=C[C@@]3(O4)CN2C(=O)C(F)(F)F |
Product Overview
C17H22F3NO2 (CAS 836685-77-9), with molecular formula C17H22F3NO2 and molecular weight 329.16 g/mol. IUPAC: 2,2,2-trifluoro-1-[(1R,6R,8S)-spiro[11-oxa-3-azatricyclo[6.2.1.01,6]undec-9-ene-4,1'-cycloheptane]-3-yl]ethanone.
Chemical Property Profile of C17H22F3NO2
Property Insights of C17H22F3NO2
The XLogP value of 3.5877 indicates that C17H22F3NO2 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.54 Ų, C17H22F3NO2 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C17H22F3NO2 has 0 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 C17H22F3NO2?
The CAS number of C17H22F3NO2 is 836685-77-9.
What is the molecular formula of C17H22F3NO2?
The molecular formula of C17H22F3NO2 is C17H22F3NO2.
What is the molecular weight of C17H22F3NO2?
The molecular weight of C17H22F3NO2 is 329.16 g/mol.
Where can I buy C17H22F3NO2?
You can request a quote for C17H22F3NO2 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C17H22F3NO2?
Yes, KEHONG BIO provides custom synthesis services for C17H22F3NO2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.