(3-Methoxycarbonyl-2-propenyl)triphenylphosphonium bromide
TL;DR: (3-Methoxycarbonyl-2-propenyl)triphenylphosphonium bromide (CAS 2181-98-8) 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.
(4-methoxy-4-oxobut-2-enyl)-triphenylphosphanium bromide
Also Known As: METHYL 4-(TRIPHENYLPHOSPHONIO)CROTONATE BROMIDE, (3-Carbomethoxy-2-propenyl)triphenylphosphonium bromide, (3-Methoxycarbonyl-2-propenyl)triphenylphosphonium bromide, (4-methoxy-4-oxo-but-2-enyl)-triphenyl-phosphonium;bromide, (4-Methoxy-4-oxobut-2-en-1-yl)triphenylphosphonium bromide
| 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 | 2181-98-8 |
|---|---|
| SMILES | COC(=O)C=CC[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3.[Br-] |
Product Overview
(3-Methoxycarbonyl-2-propenyl)triphenylphosphonium bromide (CAS 2181-98-8), with molecular formula C23H22BrO2P and molecular weight 440.05 g/mol. IUPAC: (4-methoxy-4-oxobut-2-enyl)-triphenylphosphanium bromide.
Chemical Property Profile of (3-Methoxycarbonyl-2-propenyl)triphenylphosphonium bromide
Property Insights of (3-Methoxycarbonyl-2-propenyl)triphenylphosphonium bromide
The XLogP value of 0.7137 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3-Methoxycarbonyl-2-propenyl)triphenylphosphonium bromide. With a topological polar surface area (TPSA) of 26.3 Ų, (3-Methoxycarbonyl-2-propenyl)triphenylphosphonium bromide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3-Methoxycarbonyl-2-propenyl)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 (3-Methoxycarbonyl-2-propenyl)triphenylphosphonium bromide?
The CAS number of (3-Methoxycarbonyl-2-propenyl)triphenylphosphonium bromide is 2181-98-8.
What is the molecular formula of (3-Methoxycarbonyl-2-propenyl)triphenylphosphonium bromide?
The molecular formula of (3-Methoxycarbonyl-2-propenyl)triphenylphosphonium bromide is C23H22BrO2P.
What is the molecular weight of (3-Methoxycarbonyl-2-propenyl)triphenylphosphonium bromide?
The molecular weight of (3-Methoxycarbonyl-2-propenyl)triphenylphosphonium bromide is 440.05 g/mol.
Where can I buy (3-Methoxycarbonyl-2-propenyl)triphenylphosphonium bromide?
You can request a quote for (3-Methoxycarbonyl-2-propenyl)triphenylphosphonium bromide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3-Methoxycarbonyl-2-propenyl)triphenylphosphonium bromide?
Yes, KEHONG BIO provides custom synthesis services for (3-Methoxycarbonyl-2-propenyl)triphenylphosphonium bromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.