Dimethyl (7-methoxy-2-oxoheptyl)phosphonate
TL;DR: Dimethyl (7-methoxy-2-oxoheptyl)phosphonate (CAS 41639-62-7) is a chemical compound with molecular formula C10H21O5P and molecular weight 252.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-dimethoxyphosphoryl-7-methoxyheptan-2-one
Also Known As: dimethyl (7-methoxy-2-oxoheptyl)phosphonate, NCI60_005216, 1-dimethoxyphosphoryl-7-methoxyheptan-2-one, Phosphonic acid, (7-methoxy-2-oxoheptyl)-, dimethyl ester
| Molecular Formula | C10H21O5P |
|---|---|
| Molecular Weight | 252.11 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 61.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 10 |
| Exact Mass | 252.11266 |
| Heavy Atoms | 16 |
| Complexity | 233.0 |
Chemical Identifiers
| CAS Number | 41639-62-7 |
|---|---|
| SMILES | COCCCCCC(=O)CP(=O)(OC)OC |
| InChIKey | RADNLYZNRNNWSG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Dimethyl (7-methoxy-2-oxoheptyl)phosphonate (CAS 41639-62-7), with molecular formula C10H21O5P and molecular weight 252.11 g/mol. IUPAC: 1-dimethoxyphosphoryl-7-methoxyheptan-2-one.
Chemical Property Profile of Dimethyl (7-methoxy-2-oxoheptyl)phosphonate
Property Insights of Dimethyl (7-methoxy-2-oxoheptyl)phosphonate
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethyl (7-methoxy-2-oxoheptyl)phosphonate. The TPSA of 61.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Dimethyl (7-methoxy-2-oxoheptyl)phosphonate. Following Lipinski's Rule of Five, Dimethyl (7-methoxy-2-oxoheptyl)phosphonate 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 Dimethyl (7-methoxy-2-oxoheptyl)phosphonate?
The CAS number of Dimethyl (7-methoxy-2-oxoheptyl)phosphonate is 41639-62-7.
What is the molecular formula of Dimethyl (7-methoxy-2-oxoheptyl)phosphonate?
The molecular formula of Dimethyl (7-methoxy-2-oxoheptyl)phosphonate is C10H21O5P.
What is the molecular weight of Dimethyl (7-methoxy-2-oxoheptyl)phosphonate?
The molecular weight of Dimethyl (7-methoxy-2-oxoheptyl)phosphonate is 252.11 g/mol.
Where can I buy Dimethyl (7-methoxy-2-oxoheptyl)phosphonate?
You can request a quote for Dimethyl (7-methoxy-2-oxoheptyl)phosphonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl (7-methoxy-2-oxoheptyl)phosphonate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl (7-methoxy-2-oxoheptyl)phosphonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.