4-Azidophenacyl bromide
TL;DR: 4-Azidophenacyl bromide (CAS 57018-46-9) is a chemical compound with molecular formula C8H6BrN3O and molecular weight 238.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-azidophenyl)-2-bromoethanone
Also Known As: 4-Azidophenacyl bromide, p-Azidophenacyl Bromide, 4-azidophenacylbromide, 1-(4-azidophenyl)-2-bromoethanone, APA bromide
| Molecular Formula | C8H6BrN3O |
|---|---|
| Molecular Weight | 238.97 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 31.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 238.96942 |
| Heavy Atoms | 13 |
| Complexity | 230.0 |
Chemical Identifiers
| CAS Number | 57018-46-9 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)CBr)N=[N+]=[N-] |
| InChIKey | LZJPDRANSVSGOR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Azidophenacyl bromide (CAS 57018-46-9), with molecular formula C8H6BrN3O and molecular weight 238.97 g/mol. IUPAC: 1-(4-azidophenyl)-2-bromoethanone.
Chemical Property Profile of 4-Azidophenacyl bromide
Property Insights of 4-Azidophenacyl bromide
The XLogP value of 3.3 indicates that 4-Azidophenacyl bromide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 31.4 Ų, 4-Azidophenacyl bromide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Azidophenacyl bromide has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-Azidophenacyl bromide?
The CAS number of 4-Azidophenacyl bromide is 57018-46-9.
What is the molecular formula of 4-Azidophenacyl bromide?
The molecular formula of 4-Azidophenacyl bromide is C8H6BrN3O.
What is the molecular weight of 4-Azidophenacyl bromide?
The molecular weight of 4-Azidophenacyl bromide is 238.97 g/mol.
Where can I buy 4-Azidophenacyl bromide?
You can request a quote for 4-Azidophenacyl bromide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Azidophenacyl bromide?
Yes, KEHONG BIO provides custom synthesis services for 4-Azidophenacyl bromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.