亚硝基苯
TL;DR: 亚硝基苯 (CAS 586-96-9) is a chemical compound with molecular formula C6H5NO and molecular weight 107.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
亚硝基苯
nitrosobenzene
Also Known As: NITROSOBENZENE, Benzene, nitroso-, Oxophenylamine, Oxypeucedanin, nitroso benzene
| Molecular Formula | C6H5NO |
|---|---|
| Molecular Weight | 107.04 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 29.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 107.03712 |
| Heavy Atoms | 8 |
| Complexity | 76.0 |
Chemical Identifiers
| CAS Number | 586-96-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)N=O |
| InChIKey | NLRKCXQQSUWLCH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
亚硝基苯 (CAS 586-96-9), with molecular formula C6H5NO and molecular weight 107.04 g/mol. IUPAC: nitrosobenzene.
Chemical Property Profile of 亚硝基苯
Property Insights of 亚硝基苯
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 亚硝基苯. With a topological polar surface area (TPSA) of 29.4 Ų, 亚硝基苯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 亚硝基苯 has 0 hydrogen bond donor(s) and 2 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 亚硝基苯?
The CAS number of 亚硝基苯 is 586-96-9.
What is the molecular formula of 亚硝基苯?
The molecular formula of 亚硝基苯 is C6H5NO.
What is the molecular weight of 亚硝基苯?
The molecular weight of 亚硝基苯 is 107.04 g/mol.
Where can I buy 亚硝基苯?
You can request a quote for 亚硝基苯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 亚硝基苯?
Yes, KEHONG BIO provides custom synthesis services for 亚硝基苯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.