3-Hydroxy-1-nitropyrene
TL;DR: 3-Hydroxy-1-nitropyrene (CAS 86674-49-9) is a chemical compound with molecular formula C16H9NO3 and molecular weight 263.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-nitropyren-1-ol
Also Known As: 3-nitropyren-1-ol, 1-Nitropyrene-3-ol, 3-Nitro-1-pyrenol, 1-Pyrenol, 3-nitro-, 1-Nitropyren-3-ol
| Molecular Formula | C16H9NO3 |
|---|---|
| Molecular Weight | 263.06 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 66.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 263.05826 |
| Heavy Atoms | 20 |
| Complexity | 407.0 |
Chemical Identifiers
| CAS Number | 86674-49-9 |
|---|---|
| SMILES | C1=CC2=C3C(=C1)C=CC4=C(C=C(C(=C43)C=C2)[N+](=O)[O-])O |
| InChIKey | BOQCPFGCIYLAGN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Hydroxy-1-nitropyrene (CAS 86674-49-9), with molecular formula C16H9NO3 and molecular weight 263.06 g/mol. IUPAC: 3-nitropyren-1-ol.
Chemical Property Profile of 3-Hydroxy-1-nitropyrene
Property Insights of 3-Hydroxy-1-nitropyrene
The XLogP value of 4.5 indicates that 3-Hydroxy-1-nitropyrene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Hydroxy-1-nitropyrene. Following Lipinski's Rule of Five, 3-Hydroxy-1-nitropyrene 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 3-Hydroxy-1-nitropyrene?
The CAS number of 3-Hydroxy-1-nitropyrene is 86674-49-9.
What is the molecular formula of 3-Hydroxy-1-nitropyrene?
The molecular formula of 3-Hydroxy-1-nitropyrene is C16H9NO3.
What is the molecular weight of 3-Hydroxy-1-nitropyrene?
The molecular weight of 3-Hydroxy-1-nitropyrene is 263.06 g/mol.
Where can I buy 3-Hydroxy-1-nitropyrene?
You can request a quote for 3-Hydroxy-1-nitropyrene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Hydroxy-1-nitropyrene?
Yes, KEHONG BIO provides custom synthesis services for 3-Hydroxy-1-nitropyrene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.