Diethyl styrylphosphonate
TL;DR: Diethyl styrylphosphonate (CAS 20408-33-7) is a chemical compound with molecular formula C12H17O3P and molecular weight 240.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-diethoxyphosphorylethenylbenzene
Also Known As: diethyl styrylphosphonate, NCIOpen2_003753, 2-diethoxyphosphorylethenylbenzene, diethyl (E)-2-phenylethenylphosphonate, Phosphonic acid,P-(2-phenylethenyl)-, diethyl ester
| Molecular Formula | C12H17O3P |
|---|---|
| Molecular Weight | 240.09 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 240.09154 |
| Heavy Atoms | 16 |
| Complexity | 247.0 |
Chemical Identifiers
| CAS Number | 20408-33-7 |
|---|---|
| SMILES | CCOP(=O)(C=CC1=CC=CC=C1)OCC |
| InChIKey | YFPQECGBFLMFEI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Diethyl styrylphosphonate (CAS 20408-33-7), with molecular formula C12H17O3P and molecular weight 240.09 g/mol. IUPAC: 2-diethoxyphosphorylethenylbenzene.
Chemical Property Profile of Diethyl styrylphosphonate
Property Insights of Diethyl styrylphosphonate
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl styrylphosphonate. With a topological polar surface area (TPSA) of 35.5 Ų, Diethyl styrylphosphonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diethyl styrylphosphonate has 0 hydrogen bond donor(s) and 3 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 Diethyl styrylphosphonate?
The CAS number of Diethyl styrylphosphonate is 20408-33-7.
What is the molecular formula of Diethyl styrylphosphonate?
The molecular formula of Diethyl styrylphosphonate is C12H17O3P.
What is the molecular weight of Diethyl styrylphosphonate?
The molecular weight of Diethyl styrylphosphonate is 240.09 g/mol.
Where can I buy Diethyl styrylphosphonate?
You can request a quote for Diethyl styrylphosphonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl styrylphosphonate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl styrylphosphonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.