6-(1,4-Diazepan-1-yl)nicotinonitrile
TL;DR: 6-(1,4-Diazepan-1-yl)nicotinonitrile (CAS 683274-59-1) is a chemical compound with molecular formula C11H14N4 and molecular weight 202.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(1,4-diazepan-1-yl)pyridine-3-carbonitrile
Also Known As: 6-(1,4-Diazepan-1-yl)nicotinonitrile, Maybridge4_004605, 2-Nitro-3-methylphenol, 6-(1,4-diazepan-1-yl)pyridine-3-carbonitrile, BUTTPARK 37\12-48
| Molecular Formula | C11H14N4 |
|---|---|
| Molecular Weight | 202.12 g/mol |
| LogP | 0.75298 |
| Topological Polar Surface Area | 51.95 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 202.12184 |
| Heavy Atoms | 15 |
| Complexity | 343.84583 |
Chemical Identifiers
| CAS Number | 683274-59-1 |
|---|---|
| SMILES | C1CNCCN(C1)C2=NC=C(C=C2)C#N |
Product Overview
6-(1,4-Diazepan-1-yl)nicotinonitrile (CAS 683274-59-1), with molecular formula C11H14N4 and molecular weight 202.12 g/mol. IUPAC: 6-(1,4-diazepan-1-yl)pyridine-3-carbonitrile.
Chemical Property Profile of 6-(1,4-Diazepan-1-yl)nicotinonitrile
Property Insights of 6-(1,4-Diazepan-1-yl)nicotinonitrile
The XLogP value of 0.75298 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-(1,4-Diazepan-1-yl)nicotinonitrile. With a topological polar surface area (TPSA) of 51.95 Ų, 6-(1,4-Diazepan-1-yl)nicotinonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-(1,4-Diazepan-1-yl)nicotinonitrile has 1 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 6-(1,4-Diazepan-1-yl)nicotinonitrile?
The CAS number of 6-(1,4-Diazepan-1-yl)nicotinonitrile is 683274-59-1.
What is the molecular formula of 6-(1,4-Diazepan-1-yl)nicotinonitrile?
The molecular formula of 6-(1,4-Diazepan-1-yl)nicotinonitrile is C11H14N4.
What is the molecular weight of 6-(1,4-Diazepan-1-yl)nicotinonitrile?
The molecular weight of 6-(1,4-Diazepan-1-yl)nicotinonitrile is 202.12 g/mol.
Where can I buy 6-(1,4-Diazepan-1-yl)nicotinonitrile?
You can request a quote for 6-(1,4-Diazepan-1-yl)nicotinonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-(1,4-Diazepan-1-yl)nicotinonitrile?
Yes, KEHONG BIO provides custom synthesis services for 6-(1,4-Diazepan-1-yl)nicotinonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.