1-Bromoacetylpyrene
TL;DR: 1-Bromoacetylpyrene (CAS 84930-99-4) is a chemical compound with molecular formula C18H11BrO and molecular weight 322.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-bromo-1-pyren-1-ylethanone
Also Known As: 2-Bromo-1-(pyren-1-yl)ethanone, 1-(Bromoacetyl)pyrene, 1-Bromoacetylpyrene, 2-bromo-1-pyren-1-ylethanone, 1- PYRENE
| Molecular Formula | C18H11BrO |
|---|---|
| Molecular Weight | 322.00 g/mol |
| LogP | 5.5 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 321.99933 |
| Heavy Atoms | 20 |
| Complexity | 393.0 |
Chemical Identifiers
| CAS Number | 84930-99-4 |
|---|---|
| SMILES | C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)C(=O)CBr |
| InChIKey | KAEDEGFCOPIKKM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Bromoacetylpyrene (CAS 84930-99-4), with molecular formula C18H11BrO and molecular weight 322.00 g/mol. IUPAC: 2-bromo-1-pyren-1-ylethanone.
Chemical Property Profile of 1-Bromoacetylpyrene
Property Insights of 1-Bromoacetylpyrene
The XLogP value of 5.5 indicates that 1-Bromoacetylpyrene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, 1-Bromoacetylpyrene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Bromoacetylpyrene has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-Bromoacetylpyrene?
The CAS number of 1-Bromoacetylpyrene is 84930-99-4.
What is the molecular formula of 1-Bromoacetylpyrene?
The molecular formula of 1-Bromoacetylpyrene is C18H11BrO.
What is the molecular weight of 1-Bromoacetylpyrene?
The molecular weight of 1-Bromoacetylpyrene is 322.00 g/mol.
Where can I buy 1-Bromoacetylpyrene?
You can request a quote for 1-Bromoacetylpyrene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Bromoacetylpyrene?
Yes, KEHONG BIO provides custom synthesis services for 1-Bromoacetylpyrene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.