4-Nitrosobenzonitrile
TL;DR: 4-Nitrosobenzonitrile (CAS 31125-07-2) is a chemical compound with molecular formula C7H4N2O and molecular weight 132.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-nitrosobenzonitrile
Also Known As: 4-Nitrosobenzonitrile, 4-cyanonitrosobenzene, Benzonitrile, 4-nitroso-, 4-cyano-nitrosobenzene, Dabigatran Impurity 32
| Molecular Formula | C7H4N2O |
|---|---|
| Molecular Weight | 132.03 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 53.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 132.03236 |
| Heavy Atoms | 10 |
| Complexity | 162.0 |
Chemical Identifiers
| CAS Number | 31125-07-2 |
|---|---|
| SMILES | C1=CC(=CC=C1C#N)N=O |
| InChIKey | UBLUNBIUDODHRO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Nitrosobenzonitrile (CAS 31125-07-2), with molecular formula C7H4N2O and molecular weight 132.03 g/mol. IUPAC: 4-nitrosobenzonitrile.
Chemical Property Profile of 4-Nitrosobenzonitrile
Property Insights of 4-Nitrosobenzonitrile
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Nitrosobenzonitrile. With a topological polar surface area (TPSA) of 53.2 Ų, 4-Nitrosobenzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Nitrosobenzonitrile has 0 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-Nitrosobenzonitrile?
The CAS number of 4-Nitrosobenzonitrile is 31125-07-2.
What is the molecular formula of 4-Nitrosobenzonitrile?
The molecular formula of 4-Nitrosobenzonitrile is C7H4N2O.
What is the molecular weight of 4-Nitrosobenzonitrile?
The molecular weight of 4-Nitrosobenzonitrile is 132.03 g/mol.
Where can I buy 4-Nitrosobenzonitrile?
You can request a quote for 4-Nitrosobenzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Nitrosobenzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-Nitrosobenzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.