1-Nitrosopyrene
TL;DR: 1-Nitrosopyrene (CAS 86674-51-3) is a chemical compound with molecular formula C16H9NO and molecular weight 231.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-nitrosopyrene
Also Known As: 1-Nitrosopyrene, Pyrene, 1-nitroso-, Pyrene,1-nitroso-, NITROSOPYRENE, 1-, SID:126522452
| Molecular Formula | C16H9NO |
|---|---|
| Molecular Weight | 231.07 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 29.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 231.06842 |
| Heavy Atoms | 18 |
| Complexity | 342.0 |
Chemical Identifiers
| CAS Number | 86674-51-3 |
|---|---|
| SMILES | C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)N=O |
| InChIKey | KRCPDXFCTQIOPS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Nitrosopyrene (CAS 86674-51-3), with molecular formula C16H9NO and molecular weight 231.07 g/mol. IUPAC: 1-nitrosopyrene.
Chemical Property Profile of 1-Nitrosopyrene
Property Insights of 1-Nitrosopyrene
The XLogP value of 4.4 indicates that 1-Nitrosopyrene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.4 Ų, 1-Nitrosopyrene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Nitrosopyrene 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 1-Nitrosopyrene?
The CAS number of 1-Nitrosopyrene is 86674-51-3.
What is the molecular formula of 1-Nitrosopyrene?
The molecular formula of 1-Nitrosopyrene is C16H9NO.
What is the molecular weight of 1-Nitrosopyrene?
The molecular weight of 1-Nitrosopyrene is 231.07 g/mol.
Where can I buy 1-Nitrosopyrene?
You can request a quote for 1-Nitrosopyrene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Nitrosopyrene?
Yes, KEHONG BIO provides custom synthesis services for 1-Nitrosopyrene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.