1-Butylpyrene
TL;DR: 1-Butylpyrene (CAS 56142-13-3) is a chemical compound with molecular formula C20H18 and molecular weight 258.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-butylpyrene
Also Known As: 1-butylpyrene, 1-n-butylpyrene, Butylpyrene, Pyrene, 1-butyl-, Pyrene, butyl-
| Molecular Formula | C20H18 |
|---|---|
| Molecular Weight | 258.14 g/mol |
| LogP | 6.9 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 3 |
| Exact Mass | 258.14084 |
| Heavy Atoms | 20 |
| Complexity | 333.0 |
Chemical Identifiers
| CAS Number | 56142-13-3 |
|---|---|
| SMILES | CCCCC1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C=C1 |
| InChIKey | UFOTZLIYHMGVAV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Butylpyrene (CAS 56142-13-3), with molecular formula C20H18 and molecular weight 258.14 g/mol. IUPAC: 1-butylpyrene.
Chemical Property Profile of 1-Butylpyrene
Property Insights of 1-Butylpyrene
The XLogP value of 6.9 indicates that 1-Butylpyrene 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-Butylpyrene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Butylpyrene 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-Butylpyrene?
The CAS number of 1-Butylpyrene is 56142-13-3.
What is the molecular formula of 1-Butylpyrene?
The molecular formula of 1-Butylpyrene is C20H18.
What is the molecular weight of 1-Butylpyrene?
The molecular weight of 1-Butylpyrene is 258.14 g/mol.
Where can I buy 1-Butylpyrene?
You can request a quote for 1-Butylpyrene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Butylpyrene?
Yes, KEHONG BIO provides custom synthesis services for 1-Butylpyrene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.