Acetic acid, 2-(triphenylphosphoranylidene)-, methyl ester
TL;DR: Acetic acid, 2-(triphenylphosphoranylidene)-, methyl ester (CAS 2605-67-6) is a chemical compound with molecular formula C21H19O2P and molecular weight 334.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(triphenyl-λ5-phosphanylidene)acetate
Also Known As: Methyl (triphenylphosphoranylidene)acetate, Methyl 2-(triphenylphosphoranylidene)acetate, Vinylferrocene, Methyl, (Carbomethoxymethylene)triphenylphosphorane
| Molecular Formula | C21H19O2P |
|---|---|
| Molecular Weight | 334.11 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 334.11227 |
| Heavy Atoms | 24 |
| Complexity | 400.0 |
Chemical Identifiers
| CAS Number | 2605-67-6 |
|---|---|
| SMILES | COC(=O)C=P(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3 |
| InChIKey | NTNUDYROPUKXNA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Acetic acid, 2-(triphenylphosphoranylidene)-, methyl ester (CAS 2605-67-6), with molecular formula C21H19O2P and molecular weight 334.11 g/mol. IUPAC: methyl 2-(triphenyl-λ5-phosphanylidene)acetate.
Chemical Property Profile of Acetic acid, 2-(triphenylphosphoranylidene)-, methyl ester
Property Insights of Acetic acid, 2-(triphenylphosphoranylidene)-, methyl ester
The XLogP value of 4.0 indicates that Acetic acid, 2-(triphenylphosphoranylidene)-, methyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Acetic acid, 2-(triphenylphosphoranylidene)-, methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Acetic acid, 2-(triphenylphosphoranylidene)-, methyl ester 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 Acetic acid, 2-(triphenylphosphoranylidene)-, methyl ester?
The CAS number of Acetic acid, 2-(triphenylphosphoranylidene)-, methyl ester is 2605-67-6.
What is the molecular formula of Acetic acid, 2-(triphenylphosphoranylidene)-, methyl ester?
The molecular formula of Acetic acid, 2-(triphenylphosphoranylidene)-, methyl ester is C21H19O2P.
What is the molecular weight of Acetic acid, 2-(triphenylphosphoranylidene)-, methyl ester?
The molecular weight of Acetic acid, 2-(triphenylphosphoranylidene)-, methyl ester is 334.11 g/mol.
Where can I buy Acetic acid, 2-(triphenylphosphoranylidene)-, methyl ester?
You can request a quote for Acetic acid, 2-(triphenylphosphoranylidene)-, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetic acid, 2-(triphenylphosphoranylidene)-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Acetic acid, 2-(triphenylphosphoranylidene)-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.