4-(3-Oxodiazinan-1-yl)benzonitrile
TL;DR: 4-(3-Oxodiazinan-1-yl)benzonitrile (CAS 122610-92-8) is a chemical compound with molecular formula C11H11N3O and molecular weight 201.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(3-oxodiazinan-1-yl)benzonitrile
Also Known As: 4-(3-oxodiazinan-1-yl)benzonitrile, 4-(3-oxotetrahydropyridazin-1(2H)-yl)benzonitrile
| Molecular Formula | C11H11N3O |
|---|---|
| Molecular Weight | 201.09 g/mol |
| LogP | 1.18968 |
| Topological Polar Surface Area | 56.13 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 201.09021 |
| Heavy Atoms | 15 |
| Complexity | 404.83636 |
Chemical Identifiers
| CAS Number | 122610-92-8 |
|---|---|
| SMILES | C1CC(=O)NN(C1)C2=CC=C(C=C2)C#N |
Product Overview
4-(3-Oxodiazinan-1-yl)benzonitrile (CAS 122610-92-8), with molecular formula C11H11N3O and molecular weight 201.09 g/mol. IUPAC: 4-(3-oxodiazinan-1-yl)benzonitrile.
Chemical Property Profile of 4-(3-Oxodiazinan-1-yl)benzonitrile
Property Insights of 4-(3-Oxodiazinan-1-yl)benzonitrile
The XLogP value of 1.18968 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(3-Oxodiazinan-1-yl)benzonitrile. With a topological polar surface area (TPSA) of 56.13 Ų, 4-(3-Oxodiazinan-1-yl)benzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(3-Oxodiazinan-1-yl)benzonitrile has 1 hydrogen bond donor(s) and 3 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 4-(3-Oxodiazinan-1-yl)benzonitrile?
The CAS number of 4-(3-Oxodiazinan-1-yl)benzonitrile is 122610-92-8.
What is the molecular formula of 4-(3-Oxodiazinan-1-yl)benzonitrile?
The molecular formula of 4-(3-Oxodiazinan-1-yl)benzonitrile is C11H11N3O.
What is the molecular weight of 4-(3-Oxodiazinan-1-yl)benzonitrile?
The molecular weight of 4-(3-Oxodiazinan-1-yl)benzonitrile is 201.09 g/mol.
Where can I buy 4-(3-Oxodiazinan-1-yl)benzonitrile?
You can request a quote for 4-(3-Oxodiazinan-1-yl)benzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(3-Oxodiazinan-1-yl)benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-(3-Oxodiazinan-1-yl)benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.