Phosphonic acid, (3-methyl-3-penten-1-ynyl)-, diethyl ester, (E)-
TL;DR: Phosphonic acid, (3-methyl-3-penten-1-ynyl)-, diethyl ester, (E)- (CAS 22152-31-4) is a chemical compound with molecular formula C10H17O3P and molecular weight 216.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-1-diethoxyphosphoryl-3-methylpent-3-en-1-yne
Also Known As: Diethyl (3E)-3-methyl-3-penten-1-ynylphosphonate, (E)-1-diethoxyphosphoryl-3-methylpent-3-en-1-yne, [-3-methyl-3-penten-1-ynyl]phosphonicaciddiethylester, Diethyl (3E)-3-methyl-3-penten-1-ynylphosphonate #, [ -3-Methyl-3-penten-1-ynyl]phosphonicaciddiethylester
| Molecular Formula | C10H17O3P |
|---|---|
| Molecular Weight | 216.09 g/mol |
| LogP | 3.1796 |
| Topological Polar Surface Area | 35.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 216.09154 |
| Heavy Atoms | 14 |
| Complexity | 286.2243 |
Chemical Identifiers
| CAS Number | 22152-31-4 |
|---|---|
| SMILES | CCOP(=O)(C#C/C(=C/C)/C)OCC |
Product Overview
Phosphonic acid, (3-methyl-3-penten-1-ynyl)-, diethyl ester, (E)- (CAS 22152-31-4), with molecular formula C10H17O3P and molecular weight 216.09 g/mol. IUPAC: (E)-1-diethoxyphosphoryl-3-methylpent-3-en-1-yne.
Chemical Property Profile of Phosphonic acid, (3-methyl-3-penten-1-ynyl)-, diethyl ester, (E)-
Property Insights of Phosphonic acid, (3-methyl-3-penten-1-ynyl)-, diethyl ester, (E)-
The XLogP value of 3.1796 indicates that Phosphonic acid, (3-methyl-3-penten-1-ynyl)-, diethyl ester, (E)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.53 Ų, Phosphonic acid, (3-methyl-3-penten-1-ynyl)-, diethyl ester, (E)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phosphonic acid, (3-methyl-3-penten-1-ynyl)-, diethyl ester, (E)- 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 Phosphonic acid, (3-methyl-3-penten-1-ynyl)-, diethyl ester, (E)-?
The CAS number of Phosphonic acid, (3-methyl-3-penten-1-ynyl)-, diethyl ester, (E)- is 22152-31-4.
What is the molecular formula of Phosphonic acid, (3-methyl-3-penten-1-ynyl)-, diethyl ester, (E)-?
The molecular formula of Phosphonic acid, (3-methyl-3-penten-1-ynyl)-, diethyl ester, (E)- is C10H17O3P.
What is the molecular weight of Phosphonic acid, (3-methyl-3-penten-1-ynyl)-, diethyl ester, (E)-?
The molecular weight of Phosphonic acid, (3-methyl-3-penten-1-ynyl)-, diethyl ester, (E)- is 216.09 g/mol.
Where can I buy Phosphonic acid, (3-methyl-3-penten-1-ynyl)-, diethyl ester, (E)-?
You can request a quote for Phosphonic acid, (3-methyl-3-penten-1-ynyl)-, diethyl ester, (E)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phosphonic acid, (3-methyl-3-penten-1-ynyl)-, diethyl ester, (E)-?
Yes, KEHONG BIO provides custom synthesis services for Phosphonic acid, (3-methyl-3-penten-1-ynyl)-, diethyl ester, (E)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.