2-Methylpyrene
TL;DR: 2-Methylpyrene (CAS 3442-78-2) is a chemical compound with molecular formula C17H12 and molecular weight 216.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methylpyrene
Also Known As: 2-METHYLPYRENE, Pyrene, 2-methyl-, 2-methyl-pyrene, Pyrene, 2methyl, 2-Methyl PYRENE
| Molecular Formula | C17H12 |
|---|---|
| Molecular Weight | 216.09 g/mol |
| LogP | 5.2 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 216.0939 |
| Heavy Atoms | 17 |
| Complexity | 268.0 |
| Melting Point | 143 °C |
| Boiling Point | 409.8 °C |
| Density | 1.213 g/cu cm |
| Solubility | In water, 0.10 mg/L at 25 °C (estimated) |
| Vapor Pressure | 0.00000175 [mmHg] |
Chemical Identifiers
| CAS Number | 3442-78-2 |
|---|---|
| SMILES | CC1=CC2=C3C(=C1)C=CC4=CC=CC(=C43)C=C2 |
| InChIKey | VIRFPLJXRDHVEI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Methylpyrene (CAS 3442-78-2), with molecular formula C17H12 and molecular weight 216.09 g/mol. IUPAC: 2-methylpyrene.
Chemical Property Profile of 2-Methylpyrene
Property Insights of 2-Methylpyrene
The XLogP value of 5.2 indicates that 2-Methylpyrene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 2-Methylpyrene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Methylpyrene has 0 hydrogen bond donor(s) and 0 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-Methylpyrene?
The CAS number of 2-Methylpyrene is 3442-78-2.
What is the molecular formula of 2-Methylpyrene?
The molecular formula of 2-Methylpyrene is C17H12.
What is the molecular weight of 2-Methylpyrene?
The molecular weight of 2-Methylpyrene is 216.09 g/mol.
Where can I buy 2-Methylpyrene?
You can request a quote for 2-Methylpyrene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methylpyrene?
Yes, KEHONG BIO provides custom synthesis services for 2-Methylpyrene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.