(4-Methoxy-4-oxo-2-butenyl)triphenylphosphonium bromide
TL;DR: (4-Methoxy-4-oxo-2-butenyl)triphenylphosphonium bromide (CAS 42997-19-3) is a chemical compound with molecular formula C23H22BrO2P and molecular weight 440.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(E)-4-methoxy-4-oxobut-2-enyl]-triphenylphosphanium bromide
Also Known As: METHYL 4-(TRIPHENYLPHOSPHONIO)CROTONATE BROMIDE, (4-Methoxy-4-oxobut-2-en-1-yl)triphenylphosphonium bromide, 1-cyano-2-bromo-5-nitrobenzene, EINECS 218-557-5, METHYL4- CROTONATEBROMIDE
| Molecular Formula | C23H22BrO2P |
|---|---|
| Molecular Weight | 440.05 g/mol |
| LogP | 0.7137 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 440.05408 |
| Heavy Atoms | 27 |
| Complexity | 767.9908 |
Chemical Identifiers
| CAS Number | 42997-19-3 |
|---|---|
| SMILES | COC(=O)/C=C/C[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3.[Br-] |
Product Overview
(4-Methoxy-4-oxo-2-butenyl)triphenylphosphonium bromide (CAS 42997-19-3), with molecular formula C23H22BrO2P and molecular weight 440.05 g/mol. IUPAC: [(E)-4-methoxy-4-oxobut-2-enyl]-triphenylphosphanium bromide.
Chemical Property Profile of (4-Methoxy-4-oxo-2-butenyl)triphenylphosphonium bromide
Property Insights of (4-Methoxy-4-oxo-2-butenyl)triphenylphosphonium bromide
The XLogP value of 0.7137 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (4-Methoxy-4-oxo-2-butenyl)triphenylphosphonium bromide. With a topological polar surface area (TPSA) of 26.3 Ų, (4-Methoxy-4-oxo-2-butenyl)triphenylphosphonium bromide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (4-Methoxy-4-oxo-2-butenyl)triphenylphosphonium 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 (4-Methoxy-4-oxo-2-butenyl)triphenylphosphonium bromide?
The CAS number of (4-Methoxy-4-oxo-2-butenyl)triphenylphosphonium bromide is 42997-19-3.
What is the molecular formula of (4-Methoxy-4-oxo-2-butenyl)triphenylphosphonium bromide?
The molecular formula of (4-Methoxy-4-oxo-2-butenyl)triphenylphosphonium bromide is C23H22BrO2P.
What is the molecular weight of (4-Methoxy-4-oxo-2-butenyl)triphenylphosphonium bromide?
The molecular weight of (4-Methoxy-4-oxo-2-butenyl)triphenylphosphonium bromide is 440.05 g/mol.
Where can I buy (4-Methoxy-4-oxo-2-butenyl)triphenylphosphonium bromide?
You can request a quote for (4-Methoxy-4-oxo-2-butenyl)triphenylphosphonium bromide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-Methoxy-4-oxo-2-butenyl)triphenylphosphonium bromide?
Yes, KEHONG BIO provides custom synthesis services for (4-Methoxy-4-oxo-2-butenyl)triphenylphosphonium bromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.