Phosphonic acid, (3-methyl-2-oxo-3-pentenyl)-, dimethyl ester, (E)-
TL;DR: Phosphonic acid, (3-methyl-2-oxo-3-pentenyl)-, dimethyl ester, (E)- (CAS 54543-04-3) is a chemical compound with molecular formula C8H15O4P and molecular weight 206.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-1-dimethoxyphosphoryl-3-methylpent-3-en-2-one
Also Known As: Dimethyl (E)-(3-Methyl-2-oxopent-3-en-1-yl)phosphonate, (E)-1-dimethoxyphosphoryl-3-methylpent-3-en-2-one, Dimethyl (3E)-3-methyl-2-oxo-3-pentenylphosphonate, Phosphonic acid, (3-methyl-2-oxo-3-pentenyl)-, dimethyl ester, (E)-, [-3-methyl-2-oxo-3-pentenyl]phosphonicaciddimethylester
| Molecular Formula | C8H15O4P |
|---|---|
| Molecular Weight | 206.07 g/mol |
| LogP | 2.0076 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 206.0708 |
| Heavy Atoms | 13 |
| Complexity | 248.86964 |
Chemical Identifiers
| CAS Number | 54543-04-3 |
|---|---|
| SMILES | C/C=C(\C)/C(=O)CP(=O)(OC)OC |
Product Overview
Phosphonic acid, (3-methyl-2-oxo-3-pentenyl)-, dimethyl ester, (E)- (CAS 54543-04-3), with molecular formula C8H15O4P and molecular weight 206.07 g/mol. IUPAC: (E)-1-dimethoxyphosphoryl-3-methylpent-3-en-2-one.
Chemical Property Profile of Phosphonic acid, (3-methyl-2-oxo-3-pentenyl)-, dimethyl ester, (E)-
Property Insights of Phosphonic acid, (3-methyl-2-oxo-3-pentenyl)-, dimethyl ester, (E)-
The XLogP value of 2.0076 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phosphonic acid, (3-methyl-2-oxo-3-pentenyl)-, dimethyl ester, (E)-. With a topological polar surface area (TPSA) of 52.6 Ų, Phosphonic acid, (3-methyl-2-oxo-3-pentenyl)-, dimethyl ester, (E)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phosphonic acid, (3-methyl-2-oxo-3-pentenyl)-, dimethyl ester, (E)- has 0 hydrogen bond donor(s) and 4 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-2-oxo-3-pentenyl)-, dimethyl ester, (E)-?
The CAS number of Phosphonic acid, (3-methyl-2-oxo-3-pentenyl)-, dimethyl ester, (E)- is 54543-04-3.
What is the molecular formula of Phosphonic acid, (3-methyl-2-oxo-3-pentenyl)-, dimethyl ester, (E)-?
The molecular formula of Phosphonic acid, (3-methyl-2-oxo-3-pentenyl)-, dimethyl ester, (E)- is C8H15O4P.
What is the molecular weight of Phosphonic acid, (3-methyl-2-oxo-3-pentenyl)-, dimethyl ester, (E)-?
The molecular weight of Phosphonic acid, (3-methyl-2-oxo-3-pentenyl)-, dimethyl ester, (E)- is 206.07 g/mol.
Where can I buy Phosphonic acid, (3-methyl-2-oxo-3-pentenyl)-, dimethyl ester, (E)-?
You can request a quote for Phosphonic acid, (3-methyl-2-oxo-3-pentenyl)-, dimethyl 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-2-oxo-3-pentenyl)-, dimethyl ester, (E)-?
Yes, KEHONG BIO provides custom synthesis services for Phosphonic acid, (3-methyl-2-oxo-3-pentenyl)-, dimethyl ester, (E)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.