4-Nitrosoaniline
TL;DR: 4-Nitrosoaniline (CAS 659-49-4) is a chemical compound with molecular formula C6H6N2O and molecular weight 122.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-nitrosoaniline
Also Known As: 4-Nitrosoaniline, p-nitrosoaniline, 4-nitroso aniline, p-Aminonitrosobenzene, Aniline, p-nitroso-
| Molecular Formula | C6H6N2O |
|---|---|
| Molecular Weight | 122.05 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 55.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 122.04801 |
| Heavy Atoms | 9 |
| Complexity | 97.0 |
Chemical Identifiers
| CAS Number | 659-49-4 |
|---|---|
| SMILES | C1=CC(=CC=C1N)N=O |
| InChIKey | SALQMMXSINGXMI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Nitrosoaniline (CAS 659-49-4), with molecular formula C6H6N2O and molecular weight 122.05 g/mol. IUPAC: 4-nitrosoaniline.
Chemical Property Profile of 4-Nitrosoaniline
Property Insights of 4-Nitrosoaniline
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Nitrosoaniline. With a topological polar surface area (TPSA) of 55.5 Ų, 4-Nitrosoaniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Nitrosoaniline 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-Nitrosoaniline?
The CAS number of 4-Nitrosoaniline is 659-49-4.
What is the molecular formula of 4-Nitrosoaniline?
The molecular formula of 4-Nitrosoaniline is C6H6N2O.
What is the molecular weight of 4-Nitrosoaniline?
The molecular weight of 4-Nitrosoaniline is 122.05 g/mol.
Where can I buy 4-Nitrosoaniline?
You can request a quote for 4-Nitrosoaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Nitrosoaniline?
Yes, KEHONG BIO provides custom synthesis services for 4-Nitrosoaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.