![3-[4-(Difluoromethoxy)phenyl]-2-(4-methylpiperazine-1-carbonyl)prop-2-enenitrile structure](/static/products/3261/326178-00-1.webp)
3-[4-(Difluoromethoxy)phenyl]-2-(4-methylpiperazine-1-carbonyl)prop-2-enenitrile
TL;DR: 3-[4-(Difluoromethoxy)phenyl]-2-(4-methylpiperazine-1-carbonyl)prop-2-enenitrile (CAS 326178-00-1) is a chemical compound with molecular formula C16H17F2N3O2 and molecular weight 321.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(Z)-3-[4-(difluoromethoxy)phenyl]-2-(4-methylpiperazine-1-carbonyl)prop-2-enenitrile
Also Known As: (Z)-3-[4-(Difluoromethoxy)phenyl]-2-(4-methylpiperazine-1-carbonyl)prop-2-enenitrile, 3-[4-(difluoromethoxy)phenyl]-2-(4-methylpiperazine-1-carbonyl)prop-2-enenitrile
| Molecular Formula | C16H17F2N3O2 |
|---|---|
| Molecular Weight | 321.13 g/mol |
| LogP | 1.96898 |
| Topological Polar Surface Area | 56.57 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 321.12888 |
| Heavy Atoms | 23 |
| Complexity | 615.2077 |
Chemical Identifiers
| CAS Number | 326178-00-1 |
|---|---|
| SMILES | CN1CCN(CC1)C(=O)/C(=C\C2=CC=C(C=C2)OC(F)F)/C#N |
Product Overview
3-[4-(Difluoromethoxy)phenyl]-2-(4-methylpiperazine-1-carbonyl)prop-2-enenitrile (CAS 326178-00-1), with molecular formula C16H17F2N3O2 and molecular weight 321.13 g/mol. IUPAC: (Z)-3-[4-(difluoromethoxy)phenyl]-2-(4-methylpiperazine-1-carbonyl)prop-2-enenitrile.
Chemical Property Profile of 3-[4-(Difluoromethoxy)phenyl]-2-(4-methylpiperazine-1-carbonyl)prop-2-enenitrile
Property Insights of 3-[4-(Difluoromethoxy)phenyl]-2-(4-methylpiperazine-1-carbonyl)prop-2-enenitrile
The XLogP value of 1.96898 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[4-(Difluoromethoxy)phenyl]-2-(4-methylpiperazine-1-carbonyl)prop-2-enenitrile. With a topological polar surface area (TPSA) of 56.57 Ų, 3-[4-(Difluoromethoxy)phenyl]-2-(4-methylpiperazine-1-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-(4-methylpiperazine-1-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-(4-methylpiperazine-1-carbonyl)prop-2-enenitrile?
The CAS number of 3-[4-(Difluoromethoxy)phenyl]-2-(4-methylpiperazine-1-carbonyl)prop-2-enenitrile is 326178-00-1.
What is the molecular formula of 3-[4-(Difluoromethoxy)phenyl]-2-(4-methylpiperazine-1-carbonyl)prop-2-enenitrile?
The molecular formula of 3-[4-(Difluoromethoxy)phenyl]-2-(4-methylpiperazine-1-carbonyl)prop-2-enenitrile is C16H17F2N3O2.
What is the molecular weight of 3-[4-(Difluoromethoxy)phenyl]-2-(4-methylpiperazine-1-carbonyl)prop-2-enenitrile?
The molecular weight of 3-[4-(Difluoromethoxy)phenyl]-2-(4-methylpiperazine-1-carbonyl)prop-2-enenitrile is 321.13 g/mol.
Where can I buy 3-[4-(Difluoromethoxy)phenyl]-2-(4-methylpiperazine-1-carbonyl)prop-2-enenitrile?
You can request a quote for 3-[4-(Difluoromethoxy)phenyl]-2-(4-methylpiperazine-1-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-(4-methylpiperazine-1-carbonyl)prop-2-enenitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-[4-(Difluoromethoxy)phenyl]-2-(4-methylpiperazine-1-carbonyl)prop-2-enenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.