3-Diethoxyphosphorylprop-1-enylbenzene
TL;DR: 3-Diethoxyphosphorylprop-1-enylbenzene (CAS 17316-55-1) is a chemical compound with molecular formula C13H19O3P and molecular weight 254.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-diethoxyphosphorylprop-1-enylbenzene
Also Known As: diethyl cinnamylphosphonate, Diethyl trans-cinnamylphosphonate, 3-diethoxyphosphorylprop-1-enylbenzene, [(E)-3-diethoxyphosphorylprop-1-enyl]benzene, (3-Phenyl-allyl)-phosphonic acid diethyl ester
| Molecular Formula | C13H19O3P |
|---|---|
| Molecular Weight | 254.11 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 254.10718 |
| Heavy Atoms | 17 |
| Complexity | 260.0 |
Chemical Identifiers
| CAS Number | 17316-55-1 |
|---|---|
| SMILES | CCOP(=O)(CC=CC1=CC=CC=C1)OCC |
| InChIKey | AWKOMEXJXBINBQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Diethoxyphosphorylprop-1-enylbenzene (CAS 17316-55-1), with molecular formula C13H19O3P and molecular weight 254.11 g/mol. IUPAC: 3-diethoxyphosphorylprop-1-enylbenzene.
Chemical Property Profile of 3-Diethoxyphosphorylprop-1-enylbenzene
Property Insights of 3-Diethoxyphosphorylprop-1-enylbenzene
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Diethoxyphosphorylprop-1-enylbenzene. With a topological polar surface area (TPSA) of 35.5 Ų, 3-Diethoxyphosphorylprop-1-enylbenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Diethoxyphosphorylprop-1-enylbenzene 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 3-Diethoxyphosphorylprop-1-enylbenzene?
The CAS number of 3-Diethoxyphosphorylprop-1-enylbenzene is 17316-55-1.
What is the molecular formula of 3-Diethoxyphosphorylprop-1-enylbenzene?
The molecular formula of 3-Diethoxyphosphorylprop-1-enylbenzene is C13H19O3P.
What is the molecular weight of 3-Diethoxyphosphorylprop-1-enylbenzene?
The molecular weight of 3-Diethoxyphosphorylprop-1-enylbenzene is 254.11 g/mol.
Where can I buy 3-Diethoxyphosphorylprop-1-enylbenzene?
You can request a quote for 3-Diethoxyphosphorylprop-1-enylbenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Diethoxyphosphorylprop-1-enylbenzene?
Yes, KEHONG BIO provides custom synthesis services for 3-Diethoxyphosphorylprop-1-enylbenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.