![2-[4-(4-Chlorophenyl)piperazino]-4-methoxynicotinonitrile structure](/static/products/3390/339016-80-7.webp)
2-[4-(4-Chlorophenyl)piperazino]-4-methoxynicotinonitrile
TL;DR: 2-[4-(4-Chlorophenyl)piperazino]-4-methoxynicotinonitrile (CAS 339016-80-7) is a chemical compound with molecular formula C17H17ClN4O and molecular weight 328.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-(4-chlorophenyl)piperazin-1-yl]-4-methoxypyridine-3-carbonitrile
Also Known As: 2-[4-(4-chlorophenyl)piperazino]-4-methoxynicotinonitrile, 2-[4-(4-chlorophenyl)piperazin-1-yl]-4-methoxypyridine-3-carbonitrile
| Molecular Formula | C17H17ClN4O |
|---|---|
| Molecular Weight | 328.11 g/mol |
| LogP | 2.94188 |
| Topological Polar Surface Area | 52.39 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 328.1091 |
| Heavy Atoms | 23 |
| Complexity | 718.36346 |
Chemical Identifiers
| CAS Number | 339016-80-7 |
|---|---|
| SMILES | COC1=C(C(=NC=C1)N2CCN(CC2)C3=CC=C(C=C3)Cl)C#N |
Product Overview
2-[4-(4-Chlorophenyl)piperazino]-4-methoxynicotinonitrile (CAS 339016-80-7), with molecular formula C17H17ClN4O and molecular weight 328.11 g/mol. IUPAC: 2-[4-(4-chlorophenyl)piperazin-1-yl]-4-methoxypyridine-3-carbonitrile.
Chemical Property Profile of 2-[4-(4-Chlorophenyl)piperazino]-4-methoxynicotinonitrile
Property Insights of 2-[4-(4-Chlorophenyl)piperazino]-4-methoxynicotinonitrile
The XLogP value of 2.94188 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[4-(4-Chlorophenyl)piperazino]-4-methoxynicotinonitrile. With a topological polar surface area (TPSA) of 52.39 Ų, 2-[4-(4-Chlorophenyl)piperazino]-4-methoxynicotinonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[4-(4-Chlorophenyl)piperazino]-4-methoxynicotinonitrile has 0 hydrogen bond donor(s) and 5 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-(4-Chlorophenyl)piperazino]-4-methoxynicotinonitrile?
The CAS number of 2-[4-(4-Chlorophenyl)piperazino]-4-methoxynicotinonitrile is 339016-80-7.
What is the molecular formula of 2-[4-(4-Chlorophenyl)piperazino]-4-methoxynicotinonitrile?
The molecular formula of 2-[4-(4-Chlorophenyl)piperazino]-4-methoxynicotinonitrile is C17H17ClN4O.
What is the molecular weight of 2-[4-(4-Chlorophenyl)piperazino]-4-methoxynicotinonitrile?
The molecular weight of 2-[4-(4-Chlorophenyl)piperazino]-4-methoxynicotinonitrile is 328.11 g/mol.
Where can I buy 2-[4-(4-Chlorophenyl)piperazino]-4-methoxynicotinonitrile?
You can request a quote for 2-[4-(4-Chlorophenyl)piperazino]-4-methoxynicotinonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[4-(4-Chlorophenyl)piperazino]-4-methoxynicotinonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-[4-(4-Chlorophenyl)piperazino]-4-methoxynicotinonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.