Methyl 3-tri(phenyl)phosphoranylidenepropanoate
TL;DR: Methyl 3-tri(phenyl)phosphoranylidenepropanoate (CAS 40955-14-4) is a chemical compound with molecular formula C22H21O2P and molecular weight 348.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-(triphenyl-λ5-phosphanylidene)propanoate
Also Known As: methyl 3-(triphenyl-, Methyl 3-tri(phenyl)phosphoranylidenepropanoate, Methyl 3-triphenylphosphoranylidenepropanoate, Methyl 3-(triphenylphosphoranylidene)propanoate, (carbomethoxyethylidene)triphenyl-phosphorane
| Molecular Formula | C22H21O2P |
|---|---|
| Molecular Weight | 348.13 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 348.12793 |
| Heavy Atoms | 25 |
| Complexity | 414.0 |
Chemical Identifiers
| CAS Number | 40955-14-4 |
|---|---|
| SMILES | COC(=O)CC=P(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3 |
| InChIKey | IAPCVVZLVISVMU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 3-tri(phenyl)phosphoranylidenepropanoate (CAS 40955-14-4), with molecular formula C22H21O2P and molecular weight 348.13 g/mol. IUPAC: methyl 3-(triphenyl-λ5-phosphanylidene)propanoate.
Chemical Property Profile of Methyl 3-tri(phenyl)phosphoranylidenepropanoate
Property Insights of Methyl 3-tri(phenyl)phosphoranylidenepropanoate
The XLogP value of 3.7 indicates that Methyl 3-tri(phenyl)phosphoranylidenepropanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Methyl 3-tri(phenyl)phosphoranylidenepropanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 3-tri(phenyl)phosphoranylidenepropanoate 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 Methyl 3-tri(phenyl)phosphoranylidenepropanoate?
The CAS number of Methyl 3-tri(phenyl)phosphoranylidenepropanoate is 40955-14-4.
What is the molecular formula of Methyl 3-tri(phenyl)phosphoranylidenepropanoate?
The molecular formula of Methyl 3-tri(phenyl)phosphoranylidenepropanoate is C22H21O2P.
What is the molecular weight of Methyl 3-tri(phenyl)phosphoranylidenepropanoate?
The molecular weight of Methyl 3-tri(phenyl)phosphoranylidenepropanoate is 348.13 g/mol.
Where can I buy Methyl 3-tri(phenyl)phosphoranylidenepropanoate?
You can request a quote for Methyl 3-tri(phenyl)phosphoranylidenepropanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-tri(phenyl)phosphoranylidenepropanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-tri(phenyl)phosphoranylidenepropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.