![3-[4-(difluoromethoxy)phenyl]-2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl)prop-2-enenitrile structure](/static/products/3271/327103-03-7.webp)
3-[4-(difluoromethoxy)phenyl]-2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl)prop-2-enenitrile
TL;DR: 3-[4-(difluoromethoxy)phenyl]-2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl)prop-2-enenitrile (CAS 327103-03-7) is a chemical compound with molecular formula C21H24F2N2O2 and molecular weight 374.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[4-(difluoromethoxy)phenyl]-2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl)prop-2-enenitrile
Also Known As: 3-[4-(difluoromethoxy)phenyl]-2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl)prop-2-enenitrile, 3-[4-(difluoromethoxy)phenyl]-2-(3,3,5-trimethyl-7-azabicyclo[3.2.1]octane-7-carbonyl)prop-2-enenitrile, 3-[4-(difluoromethoxy)phenyl]-2-{1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl}prop-2-enenitrile
| Molecular Formula | C21H24F2N2O2 |
|---|---|
| Molecular Weight | 374.18 g/mol |
| LogP | 4.62218 |
| Topological Polar Surface Area | 53.33 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 374.18057 |
| Heavy Atoms | 27 |
| Complexity | 795.3948 |
Chemical Identifiers
| CAS Number | 327103-03-7 |
|---|---|
| SMILES | CC1(CC2CC(C1)(CN2C(=O)C(=CC3=CC=C(C=C3)OC(F)F)C#N)C)C |
Product Overview
3-[4-(difluoromethoxy)phenyl]-2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl)prop-2-enenitrile (CAS 327103-03-7), with molecular formula C21H24F2N2O2 and molecular weight 374.18 g/mol. IUPAC: 3-[4-(difluoromethoxy)phenyl]-2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl)prop-2-enenitrile.
Chemical Property Profile of 3-[4-(difluoromethoxy)phenyl]-2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl)prop-2-enenitrile
Property Insights of 3-[4-(difluoromethoxy)phenyl]-2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl)prop-2-enenitrile
The XLogP value of 4.62218 indicates that 3-[4-(difluoromethoxy)phenyl]-2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl)prop-2-enenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.33 Ų, 3-[4-(difluoromethoxy)phenyl]-2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl)prop-2-enenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[4-(difluoromethoxy)phenyl]-2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl)prop-2-enenitrile has 0 hydrogen bond donor(s) and 3 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-[4-(difluoromethoxy)phenyl]-2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl)prop-2-enenitrile?
The CAS number of 3-[4-(difluoromethoxy)phenyl]-2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl)prop-2-enenitrile is 327103-03-7.
What is the molecular formula of 3-[4-(difluoromethoxy)phenyl]-2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl)prop-2-enenitrile?
The molecular formula of 3-[4-(difluoromethoxy)phenyl]-2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl)prop-2-enenitrile is C21H24F2N2O2.
What is the molecular weight of 3-[4-(difluoromethoxy)phenyl]-2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl)prop-2-enenitrile?
The molecular weight of 3-[4-(difluoromethoxy)phenyl]-2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl)prop-2-enenitrile is 374.18 g/mol.
Where can I buy 3-[4-(difluoromethoxy)phenyl]-2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl)prop-2-enenitrile?
You can request a quote for 3-[4-(difluoromethoxy)phenyl]-2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl)prop-2-enenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[4-(difluoromethoxy)phenyl]-2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl)prop-2-enenitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-[4-(difluoromethoxy)phenyl]-2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl)prop-2-enenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.