4-Methylpyrene
TL;DR: 4-Methylpyrene (CAS 3353-12-6) 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.
4-methylpyrene
Also Known As: 4-METHYLPYRENE, Pyrene, 4-methyl-, 4-Methylpyren, PHENYL-PHENYLAMINO-ACETICACIDETHYLESTER, 222-120-4
| 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 |
Chemical Identifiers
| CAS Number | 3353-12-6 |
|---|---|
| SMILES | CC1=CC2=CC=CC3=C2C4=C(C=CC=C14)C=C3 |
| InChIKey | IXAFAYIIDHDJHN-UHFFFAOYSA-N |
Product Overview
4-Methylpyrene (CAS 3353-12-6), with molecular formula C17H12 and molecular weight 216.09 g/mol. IUPAC: 4-methylpyrene.
Chemical Property Profile of 4-Methylpyrene
Property Insights of 4-Methylpyrene
The XLogP value of 5.4 indicates that 4-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, 4-Methylpyrene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-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 4-Methylpyrene?
The CAS number of 4-Methylpyrene is 3353-12-6.
What is the molecular formula of 4-Methylpyrene?
The molecular formula of 4-Methylpyrene is C17H12.
What is the molecular weight of 4-Methylpyrene?
The molecular weight of 4-Methylpyrene is 216.09 g/mol.
Where can I buy 4-Methylpyrene?
You can request a quote for 4-Methylpyrene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Methylpyrene?
Yes, KEHONG BIO provides custom synthesis services for 4-Methylpyrene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.