![3-[4-(difluoromethoxy)phenyl]-2-(2,6-dimethylmorpholine-4-carbonyl)prop-2-enenitrile structure](/static/products/327/327081-16-3.png)
3-[4-(difluoromethoxy)phenyl]-2-(2,6-dimethylmorpholine-4-carbonyl)prop-2-enenitrile
TL;DR: 3-[4-(difluoromethoxy)phenyl]-2-(2,6-dimethylmorpholine-4-carbonyl)prop-2-enenitrile (CAS 327081-16-3) is a chemical compound with molecular formula C17H18F2N2O3 and molecular weight 336.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-[4-(difluoromethoxy)phenyl]-2-(2,6-dimethylmorpholine-4-carbonyl)prop-2-enenitrile
Also Known As: 3-[4-(difluoromethoxy)phenyl]-2-(2,6-dimethylmorpholine-4-carbonyl)prop-2-enenitrile, (E)-3-[4-(difluoromethoxy)phenyl]-2-(2,6-dimethylmorpholine-4-carbonyl)prop-2-enenitrile
| Molecular Formula | C17H18F2N2O3 |
|---|---|
| Molecular Weight | 336.13 g/mol |
| LogP | 2.83078 |
| Topological Polar Surface Area | 62.56 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 336.12854 |
| Heavy Atoms | 24 |
| Complexity | 642.7947 |
Chemical Identifiers
| CAS Number | 327081-16-3 |
|---|---|
| SMILES | CC1CN(CC(O1)C)C(=O)/C(=C/C2=CC=C(C=C2)OC(F)F)/C#N |
Product Overview
3-[4-(difluoromethoxy)phenyl]-2-(2,6-dimethylmorpholine-4-carbonyl)prop-2-enenitrile (CAS 327081-16-3), with molecular formula C17H18F2N2O3 and molecular weight 336.13 g/mol. IUPAC: (E)-3-[4-(difluoromethoxy)phenyl]-2-(2,6-dimethylmorpholine-4-carbonyl)prop-2-enenitrile.
Chemical Property Profile of 3-[4-(difluoromethoxy)phenyl]-2-(2,6-dimethylmorpholine-4-carbonyl)prop-2-enenitrile
Property Insights of 3-[4-(difluoromethoxy)phenyl]-2-(2,6-dimethylmorpholine-4-carbonyl)prop-2-enenitrile
The XLogP value of 2.83078 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[4-(difluoromethoxy)phenyl]-2-(2,6-dimethylmorpholine-4-carbonyl)prop-2-enenitrile. The TPSA of 62.56 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[4-(difluoromethoxy)phenyl]-2-(2,6-dimethylmorpholine-4-carbonyl)prop-2-enenitrile. Following Lipinski's Rule of Five, 3-[4-(difluoromethoxy)phenyl]-2-(2,6-dimethylmorpholine-4-carbonyl)prop-2-enenitrile has 0 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 3-[4-(difluoromethoxy)phenyl]-2-(2,6-dimethylmorpholine-4-carbonyl)prop-2-enenitrile?
The CAS number of 3-[4-(difluoromethoxy)phenyl]-2-(2,6-dimethylmorpholine-4-carbonyl)prop-2-enenitrile is 327081-16-3.
What is the molecular formula of 3-[4-(difluoromethoxy)phenyl]-2-(2,6-dimethylmorpholine-4-carbonyl)prop-2-enenitrile?
The molecular formula of 3-[4-(difluoromethoxy)phenyl]-2-(2,6-dimethylmorpholine-4-carbonyl)prop-2-enenitrile is C17H18F2N2O3.
What is the molecular weight of 3-[4-(difluoromethoxy)phenyl]-2-(2,6-dimethylmorpholine-4-carbonyl)prop-2-enenitrile?
The molecular weight of 3-[4-(difluoromethoxy)phenyl]-2-(2,6-dimethylmorpholine-4-carbonyl)prop-2-enenitrile is 336.13 g/mol.
Where can I buy 3-[4-(difluoromethoxy)phenyl]-2-(2,6-dimethylmorpholine-4-carbonyl)prop-2-enenitrile?
You can request a quote for 3-[4-(difluoromethoxy)phenyl]-2-(2,6-dimethylmorpholine-4-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-(2,6-dimethylmorpholine-4-carbonyl)prop-2-enenitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-[4-(difluoromethoxy)phenyl]-2-(2,6-dimethylmorpholine-4-carbonyl)prop-2-enenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.