1-羟基芘
TL;DR: 1-羟基芘 (CAS 5315-79-7) is a chemical compound with molecular formula C16H10O and molecular weight 218.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-羟基芘
pyren-1-ol
Also Known As: 1-HYDROXYPYRENE, Pyren-1-ol, 1-Pyrenol, 3-Hydroxypyrene, pyrenol
| Molecular Formula | C16H10O |
|---|---|
| Molecular Weight | 218.07 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 218.07317 |
| Heavy Atoms | 17 |
| Complexity | 300.0 |
| Melting Point | 180 °C |
Chemical Identifiers
| CAS Number | 5315-79-7 |
|---|---|
| SMILES | C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)O |
| InChIKey | BIJNHUAPTJVVNQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 16 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-羟基芘 (CAS 5315-79-7), with molecular formula C16H10O and molecular weight 218.07 g/mol. IUPAC: pyren-1-ol.
Chemical Property Profile of 1-羟基芘
Property Insights of 1-羟基芘
The XLogP value of 4.6 indicates that 1-羟基芘 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.2 Ų, 1-羟基芘 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-羟基芘 has 1 hydrogen bond donor(s) and 1 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-羟基芘?
The CAS number of 1-羟基芘 is 5315-79-7.
What is the molecular formula of 1-羟基芘?
The molecular formula of 1-羟基芘 is C16H10O.
What is the molecular weight of 1-羟基芘?
The molecular weight of 1-羟基芘 is 218.07 g/mol.
Where can I buy 1-羟基芘?
You can request a quote for 1-羟基芘 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-羟基芘?
Yes, KEHONG BIO provides custom synthesis services for 1-羟基芘 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.