Acetonyltriphenylphosphonium bromide
TL;DR: Acetonyltriphenylphosphonium bromide (CAS 2236-01-3) is a chemical compound with molecular formula C21H20BrOP and molecular weight 398.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-oxopropyl(triphenyl)phosphanium bromide
Also Known As: ACETONYL TRIPHENYLPHOSPHONIUM BROMIDE, Acetonyltriphenylphosphonium bromide, (2-Oxopropyl)triphenylphosphonium bromide, EINECS 218-796-5, Acetonyltriphenylphosphoniumbromide
| Molecular Formula | C21H20BrOP |
|---|---|
| Molecular Weight | 398.04 g/mol |
| LogP | 0.5735 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 398.04352 |
| Heavy Atoms | 24 |
| Complexity | 328.0 |
Chemical Identifiers
| CAS Number | 2236-01-3 |
|---|---|
| SMILES | CC(=O)C[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3.[Br-] |
| InChIKey | KZBWHCFTAAHIJJ-UHFFFAOYSA-M |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Acetonyltriphenylphosphonium bromide (CAS 2236-01-3), with molecular formula C21H20BrOP and molecular weight 398.04 g/mol. IUPAC: 2-oxopropyl(triphenyl)phosphanium bromide.
Chemical Property Profile of Acetonyltriphenylphosphonium bromide
Property Insights of Acetonyltriphenylphosphonium bromide
The XLogP value of 0.5735 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetonyltriphenylphosphonium bromide. With a topological polar surface area (TPSA) of 17.1 Ų, Acetonyltriphenylphosphonium bromide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Acetonyltriphenylphosphonium bromide has 0 hydrogen bond donor(s) and 2 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 Acetonyltriphenylphosphonium bromide?
The CAS number of Acetonyltriphenylphosphonium bromide is 2236-01-3.
What is the molecular formula of Acetonyltriphenylphosphonium bromide?
The molecular formula of Acetonyltriphenylphosphonium bromide is C21H20BrOP.
What is the molecular weight of Acetonyltriphenylphosphonium bromide?
The molecular weight of Acetonyltriphenylphosphonium bromide is 398.04 g/mol.
Where can I buy Acetonyltriphenylphosphonium bromide?
You can request a quote for Acetonyltriphenylphosphonium bromide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetonyltriphenylphosphonium bromide?
Yes, KEHONG BIO provides custom synthesis services for Acetonyltriphenylphosphonium bromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.