Methyl I(2)-oxo-I+/--(triphenylphosphoranylidene)-3-pyridinepropanoate
TL;DR: Methyl I(2)-oxo-I+/--(triphenylphosphoranylidene)-3-pyridinepropanoate (CAS 78584-31-3) is a chemical compound with molecular formula C27H22NO3P and molecular weight 439.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-oxo-3-pyridin-3-yl-2-(triphenyl-λ5-phosphanylidene)propanoate
Also Known As: methyl 3-oxo-3-pyridin-3-yl-2-(triphenyl-, Methyl 3-oxo-3-pyridin-3-yl-2-triphenylphosphoranylidene-propanoate, Methyl beta-oxo-alpha-(triphenylphosphoranylidene)-3-pyridinepropanoate, Methyl I(2)-oxo-I+/--(triphenylphosphoranylidene)-3-pyridinepropanoate, Methyl 3-oxo-3-(pyridin-3-yl)-2-(triphenyl-lambda~5~-phosphanylidene)propanoate
| Molecular Formula | C27H22NO3P |
|---|---|
| Molecular Weight | 439.13 g/mol |
| LogP | 3.6038 |
| Topological Polar Surface Area | 56.26 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 439.13373 |
| Heavy Atoms | 32 |
| Complexity | 1168.4033 |
Chemical Identifiers
| CAS Number | 78584-31-3 |
|---|---|
| SMILES | COC(=O)C(=P(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)C4=CN=CC=C4 |
Product Overview
Methyl I(2)-oxo-I+/--(triphenylphosphoranylidene)-3-pyridinepropanoate (CAS 78584-31-3), with molecular formula C27H22NO3P and molecular weight 439.13 g/mol. IUPAC: methyl 3-oxo-3-pyridin-3-yl-2-(triphenyl-λ5-phosphanylidene)propanoate.
Chemical Property Profile of Methyl I(2)-oxo-I+/--(triphenylphosphoranylidene)-3-pyridinepropanoate
Property Insights of Methyl I(2)-oxo-I+/--(triphenylphosphoranylidene)-3-pyridinepropanoate
The XLogP value of 3.6038 indicates that Methyl I(2)-oxo-I+/--(triphenylphosphoranylidene)-3-pyridinepropanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.26 Ų, Methyl I(2)-oxo-I+/--(triphenylphosphoranylidene)-3-pyridinepropanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl I(2)-oxo-I+/--(triphenylphosphoranylidene)-3-pyridinepropanoate has 0 hydrogen bond donor(s) and 4 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 Methyl I(2)-oxo-I+/--(triphenylphosphoranylidene)-3-pyridinepropanoate?
The CAS number of Methyl I(2)-oxo-I+/--(triphenylphosphoranylidene)-3-pyridinepropanoate is 78584-31-3.
What is the molecular formula of Methyl I(2)-oxo-I+/--(triphenylphosphoranylidene)-3-pyridinepropanoate?
The molecular formula of Methyl I(2)-oxo-I+/--(triphenylphosphoranylidene)-3-pyridinepropanoate is C27H22NO3P.
What is the molecular weight of Methyl I(2)-oxo-I+/--(triphenylphosphoranylidene)-3-pyridinepropanoate?
The molecular weight of Methyl I(2)-oxo-I+/--(triphenylphosphoranylidene)-3-pyridinepropanoate is 439.13 g/mol.
Where can I buy Methyl I(2)-oxo-I+/--(triphenylphosphoranylidene)-3-pyridinepropanoate?
You can request a quote for Methyl I(2)-oxo-I+/--(triphenylphosphoranylidene)-3-pyridinepropanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl I(2)-oxo-I+/--(triphenylphosphoranylidene)-3-pyridinepropanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl I(2)-oxo-I+/--(triphenylphosphoranylidene)-3-pyridinepropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.