Diethyl (6-methyl-2-oxohept-5-en-3-yl)phosphonate
TL;DR: Diethyl (6-methyl-2-oxohept-5-en-3-yl)phosphonate (CAS 57654-92-9) is a chemical compound with molecular formula C12H23O4P and molecular weight 262.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-diethoxyphosphoryl-6-methylhept-5-en-2-one
Also Known As: 3-diethoxyphosphoryl-6-methylhept-5-en-2-one, 3-Diethoxyphosphoryl-6-methyl-hept-5-en-2-one, Diethyl (6-methyl-2-oxohept-5-en-3-yl)phosphonate
| Molecular Formula | C12H23O4P |
|---|---|
| Molecular Weight | 262.13 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 262.1334 |
| Heavy Atoms | 17 |
| Complexity | 308.0 |
Chemical Identifiers
| CAS Number | 57654-92-9 |
|---|---|
| SMILES | CCOP(=O)(C(CC=C(C)C)C(=O)C)OCC |
| InChIKey | IXPZWBXXRQRGTA-UHFFFAOYSA-N |
Product Overview
Diethyl (6-methyl-2-oxohept-5-en-3-yl)phosphonate (CAS 57654-92-9), with molecular formula C12H23O4P and molecular weight 262.13 g/mol. IUPAC: 3-diethoxyphosphoryl-6-methylhept-5-en-2-one.
Chemical Property Profile of Diethyl (6-methyl-2-oxohept-5-en-3-yl)phosphonate
Property Insights of Diethyl (6-methyl-2-oxohept-5-en-3-yl)phosphonate
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl (6-methyl-2-oxohept-5-en-3-yl)phosphonate. With a topological polar surface area (TPSA) of 52.6 Ų, Diethyl (6-methyl-2-oxohept-5-en-3-yl)phosphonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diethyl (6-methyl-2-oxohept-5-en-3-yl)phosphonate 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 Diethyl (6-methyl-2-oxohept-5-en-3-yl)phosphonate?
The CAS number of Diethyl (6-methyl-2-oxohept-5-en-3-yl)phosphonate is 57654-92-9.
What is the molecular formula of Diethyl (6-methyl-2-oxohept-5-en-3-yl)phosphonate?
The molecular formula of Diethyl (6-methyl-2-oxohept-5-en-3-yl)phosphonate is C12H23O4P.
What is the molecular weight of Diethyl (6-methyl-2-oxohept-5-en-3-yl)phosphonate?
The molecular weight of Diethyl (6-methyl-2-oxohept-5-en-3-yl)phosphonate is 262.13 g/mol.
Where can I buy Diethyl (6-methyl-2-oxohept-5-en-3-yl)phosphonate?
You can request a quote for Diethyl (6-methyl-2-oxohept-5-en-3-yl)phosphonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl (6-methyl-2-oxohept-5-en-3-yl)phosphonate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl (6-methyl-2-oxohept-5-en-3-yl)phosphonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.