1-Benzylpyrene
TL;DR: 1-Benzylpyrene (CAS 96344-69-3) is a chemical compound with molecular formula C23H16 and molecular weight 292.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-benzylpyrene
Also Known As: 1-Benzylpyrene, benzylpyrene, Pyrene, (phenylmethyl)-, 1-(phenylmethyl)pyrene, KBUVRXNOTZNAPI-UHFFFAOYSA
| Molecular Formula | C23H16 |
|---|---|
| Molecular Weight | 292.13 g/mol |
| LogP | 7.0 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 2 |
| Exact Mass | 292.1252 |
| Heavy Atoms | 23 |
| Complexity | 406.0 |
Chemical Identifiers
| CAS Number | 96344-69-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)CC2=C3C=CC4=CC=CC5=C4C3=C(C=C5)C=C2 |
| InChIKey | KBUVRXNOTZNAPI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Benzylpyrene (CAS 96344-69-3), with molecular formula C23H16 and molecular weight 292.13 g/mol. IUPAC: 1-benzylpyrene.
Chemical Property Profile of 1-Benzylpyrene
Property Insights of 1-Benzylpyrene
The XLogP value of 7.0 indicates that 1-Benzylpyrene 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-Benzylpyrene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Benzylpyrene 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-Benzylpyrene?
The CAS number of 1-Benzylpyrene is 96344-69-3.
What is the molecular formula of 1-Benzylpyrene?
The molecular formula of 1-Benzylpyrene is C23H16.
What is the molecular weight of 1-Benzylpyrene?
The molecular weight of 1-Benzylpyrene is 292.13 g/mol.
Where can I buy 1-Benzylpyrene?
You can request a quote for 1-Benzylpyrene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Benzylpyrene?
Yes, KEHONG BIO provides custom synthesis services for 1-Benzylpyrene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.