Ethyl 3-((diethoxyphosphino)oxy)-2,2,4-trimethyl-3-pentenoate
TL;DR: Ethyl 3-((diethoxyphosphino)oxy)-2,2,4-trimethyl-3-pentenoate (CAS 14291-09-9) is a chemical compound with molecular formula C14H27O5P and molecular weight 306.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-diethoxyphosphanyloxy-2,2,4-trimethylpent-3-enoate
Also Known As: Ethyl 3-((diethoxyphosphino)oxy)-2,2,4-trimethyl-3-pentenoate, ethyl 3-diethoxyphosphanyloxy-2,2,4-trimethylpent-3-enoate, ethyl 3-diethoxyphosphanyloxy-2,2,4-trimethyl-pent-3-enoate, ethyl 3-[(diethoxyphosphanyl)oxy]-2,2,4-trimethylpent-3-enoate, 3-Pentenoic acid,3-[(diethoxyphosphino)oxy]-2,2,4-trimethyl-, ethyl ester
| Molecular Formula | C14H27O5P |
|---|---|
| Molecular Weight | 306.16 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 54.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 10 |
| Exact Mass | 306.1596 |
| Heavy Atoms | 20 |
| Complexity | 328.0 |
Chemical Identifiers
| CAS Number | 14291-09-9 |
|---|---|
| SMILES | CCOC(=O)C(C)(C)C(=C(C)C)OP(OCC)OCC |
| InChIKey | XWMHYJMXJMTBOB-UHFFFAOYSA-N |
Product Overview
Ethyl 3-((diethoxyphosphino)oxy)-2,2,4-trimethyl-3-pentenoate (CAS 14291-09-9), with molecular formula C14H27O5P and molecular weight 306.16 g/mol. IUPAC: ethyl 3-diethoxyphosphanyloxy-2,2,4-trimethylpent-3-enoate.
Chemical Property Profile of Ethyl 3-((diethoxyphosphino)oxy)-2,2,4-trimethyl-3-pentenoate
Property Insights of Ethyl 3-((diethoxyphosphino)oxy)-2,2,4-trimethyl-3-pentenoate
The XLogP value of 3.5 indicates that Ethyl 3-((diethoxyphosphino)oxy)-2,2,4-trimethyl-3-pentenoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.0 Ų, Ethyl 3-((diethoxyphosphino)oxy)-2,2,4-trimethyl-3-pentenoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 3-((diethoxyphosphino)oxy)-2,2,4-trimethyl-3-pentenoate has 0 hydrogen bond donor(s) and 5 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 Ethyl 3-((diethoxyphosphino)oxy)-2,2,4-trimethyl-3-pentenoate?
The CAS number of Ethyl 3-((diethoxyphosphino)oxy)-2,2,4-trimethyl-3-pentenoate is 14291-09-9.
What is the molecular formula of Ethyl 3-((diethoxyphosphino)oxy)-2,2,4-trimethyl-3-pentenoate?
The molecular formula of Ethyl 3-((diethoxyphosphino)oxy)-2,2,4-trimethyl-3-pentenoate is C14H27O5P.
What is the molecular weight of Ethyl 3-((diethoxyphosphino)oxy)-2,2,4-trimethyl-3-pentenoate?
The molecular weight of Ethyl 3-((diethoxyphosphino)oxy)-2,2,4-trimethyl-3-pentenoate is 306.16 g/mol.
Where can I buy Ethyl 3-((diethoxyphosphino)oxy)-2,2,4-trimethyl-3-pentenoate?
You can request a quote for Ethyl 3-((diethoxyphosphino)oxy)-2,2,4-trimethyl-3-pentenoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3-((diethoxyphosphino)oxy)-2,2,4-trimethyl-3-pentenoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-((diethoxyphosphino)oxy)-2,2,4-trimethyl-3-pentenoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.