3-Diethoxyphosphorylprop-1-yne
TL;DR: 3-Diethoxyphosphorylprop-1-yne (CAS 3201-73-8) is a chemical compound with molecular formula C7H13O3P and molecular weight 176.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-diethoxyphosphorylprop-1-yne
Also Known As: 3-diethoxyphosphorylprop-1-yne, diethyl prop-2-yn-1-ylphosphonate, diethyl (prop-2-yn-1-yl)phosphonate, 2-Propynylphosphonic acid diethyl ester, J1.182.073E
| Molecular Formula | C7H13O3P |
|---|---|
| Molecular Weight | 176.06 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 176.06023 |
| Heavy Atoms | 11 |
| Complexity | 181.0 |
Chemical Identifiers
| CAS Number | 3201-73-8 |
|---|---|
| SMILES | CCOP(=O)(CC#C)OCC |
| InChIKey | KMUZWGCQPPCIKM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Diethoxyphosphorylprop-1-yne (CAS 3201-73-8), with molecular formula C7H13O3P and molecular weight 176.06 g/mol. IUPAC: 3-diethoxyphosphorylprop-1-yne.
Chemical Property Profile of 3-Diethoxyphosphorylprop-1-yne
Property Insights of 3-Diethoxyphosphorylprop-1-yne
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Diethoxyphosphorylprop-1-yne. With a topological polar surface area (TPSA) of 35.5 Ų, 3-Diethoxyphosphorylprop-1-yne exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Diethoxyphosphorylprop-1-yne 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-yne?
The CAS number of 3-Diethoxyphosphorylprop-1-yne is 3201-73-8.
What is the molecular formula of 3-Diethoxyphosphorylprop-1-yne?
The molecular formula of 3-Diethoxyphosphorylprop-1-yne is C7H13O3P.
What is the molecular weight of 3-Diethoxyphosphorylprop-1-yne?
The molecular weight of 3-Diethoxyphosphorylprop-1-yne is 176.06 g/mol.
Where can I buy 3-Diethoxyphosphorylprop-1-yne?
You can request a quote for 3-Diethoxyphosphorylprop-1-yne 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-yne?
Yes, KEHONG BIO provides custom synthesis services for 3-Diethoxyphosphorylprop-1-yne and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.