1-Methylpyrene
TL;DR: 1-Methylpyrene (CAS 2381-21-7) 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.
1-methylpyrene
Also Known As: 1-METHYLPYRENE, 3-Methylpyrene, Pyrene, 1-methyl-, Pyrene, methyl-, 1-Methyl pyrene
| Molecular Formula | C17H12 |
|---|---|
| Molecular Weight | 216.09 g/mol |
| LogP | 5.4 |
| 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 | 294.0 |
| Melting Point | 158 to 71.1 °C |
| Boiling Point | 410.0 °C at 760 mmHg |
| Density | 1.213 g/cu cm |
| Solubility | less than 1 mg/mL at 68 °F (NTP, 1992) |
| Vapor Pressure | 0.00000175 [mmHg] |
Chemical Identifiers
| CAS Number | 2381-21-7 |
|---|---|
| SMILES | CC1=C2C=CC3=CC=CC4=C3C2=C(C=C1)C=C4 |
| InChIKey | KBSPJIWZDWBDGM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 16 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Methylpyrene (CAS 2381-21-7), with molecular formula C17H12 and molecular weight 216.09 g/mol. IUPAC: 1-methylpyrene.
Chemical Property Profile of 1-Methylpyrene
Property Insights of 1-Methylpyrene
The XLogP value of 5.4 indicates that 1-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, 1-Methylpyrene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-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 1-Methylpyrene?
The CAS number of 1-Methylpyrene is 2381-21-7.
What is the molecular formula of 1-Methylpyrene?
The molecular formula of 1-Methylpyrene is C17H12.
What is the molecular weight of 1-Methylpyrene?
The molecular weight of 1-Methylpyrene is 216.09 g/mol.
Where can I buy 1-Methylpyrene?
You can request a quote for 1-Methylpyrene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Methylpyrene?
Yes, KEHONG BIO provides custom synthesis services for 1-Methylpyrene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.