![2-(4-Benzylpiperazine-1-carbonyl)-3-[4-(difluoromethoxy)phenyl]prop-2-enenitrile structure](/static/products/3260/326030-96-0.webp)
2-(4-Benzylpiperazine-1-carbonyl)-3-[4-(difluoromethoxy)phenyl]prop-2-enenitrile
TL;DR: 2-(4-Benzylpiperazine-1-carbonyl)-3-[4-(difluoromethoxy)phenyl]prop-2-enenitrile (CAS 326030-96-0) is a chemical compound with molecular formula C22H21F2N3O2 and molecular weight 397.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-2-(4-benzylpiperazine-1-carbonyl)-3-[4-(difluoromethoxy)phenyl]prop-2-enenitrile
Also Known As: 2-(4-benzylpiperazine-1-carbonyl)-3-[4-(difluoromethoxy)phenyl]prop-2-enenitrile, (E)-2-(4-benzylpiperazine-1-carbonyl)-3-[4-(difluoromethoxy)phenyl]prop-2-enenitrile
| Molecular Formula | C22H21F2N3O2 |
|---|---|
| Molecular Weight | 397.16 g/mol |
| LogP | 3.53938 |
| Topological Polar Surface Area | 56.57 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 397.1602 |
| Heavy Atoms | 29 |
| Complexity | 884.52344 |
Chemical Identifiers
| CAS Number | 326030-96-0 |
|---|---|
| SMILES | C1CN(CCN1CC2=CC=CC=C2)C(=O)/C(=C/C3=CC=C(C=C3)OC(F)F)/C#N |
Product Overview
2-(4-Benzylpiperazine-1-carbonyl)-3-[4-(difluoromethoxy)phenyl]prop-2-enenitrile (CAS 326030-96-0), with molecular formula C22H21F2N3O2 and molecular weight 397.16 g/mol. IUPAC: (E)-2-(4-benzylpiperazine-1-carbonyl)-3-[4-(difluoromethoxy)phenyl]prop-2-enenitrile.
Chemical Property Profile of 2-(4-Benzylpiperazine-1-carbonyl)-3-[4-(difluoromethoxy)phenyl]prop-2-enenitrile
Property Insights of 2-(4-Benzylpiperazine-1-carbonyl)-3-[4-(difluoromethoxy)phenyl]prop-2-enenitrile
The XLogP value of 3.53938 indicates that 2-(4-Benzylpiperazine-1-carbonyl)-3-[4-(difluoromethoxy)phenyl]prop-2-enenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.57 Ų, 2-(4-Benzylpiperazine-1-carbonyl)-3-[4-(difluoromethoxy)phenyl]prop-2-enenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-Benzylpiperazine-1-carbonyl)-3-[4-(difluoromethoxy)phenyl]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 2-(4-Benzylpiperazine-1-carbonyl)-3-[4-(difluoromethoxy)phenyl]prop-2-enenitrile?
The CAS number of 2-(4-Benzylpiperazine-1-carbonyl)-3-[4-(difluoromethoxy)phenyl]prop-2-enenitrile is 326030-96-0.
What is the molecular formula of 2-(4-Benzylpiperazine-1-carbonyl)-3-[4-(difluoromethoxy)phenyl]prop-2-enenitrile?
The molecular formula of 2-(4-Benzylpiperazine-1-carbonyl)-3-[4-(difluoromethoxy)phenyl]prop-2-enenitrile is C22H21F2N3O2.
What is the molecular weight of 2-(4-Benzylpiperazine-1-carbonyl)-3-[4-(difluoromethoxy)phenyl]prop-2-enenitrile?
The molecular weight of 2-(4-Benzylpiperazine-1-carbonyl)-3-[4-(difluoromethoxy)phenyl]prop-2-enenitrile is 397.16 g/mol.
Where can I buy 2-(4-Benzylpiperazine-1-carbonyl)-3-[4-(difluoromethoxy)phenyl]prop-2-enenitrile?
You can request a quote for 2-(4-Benzylpiperazine-1-carbonyl)-3-[4-(difluoromethoxy)phenyl]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 2-(4-Benzylpiperazine-1-carbonyl)-3-[4-(difluoromethoxy)phenyl]prop-2-enenitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Benzylpiperazine-1-carbonyl)-3-[4-(difluoromethoxy)phenyl]prop-2-enenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.