1-Dimethoxyphosphoryl-7-hydroxyheptan-2-one
TL;DR: 1-Dimethoxyphosphoryl-7-hydroxyheptan-2-one (CAS 68382-89-8) is a chemical compound with molecular formula C9H19O5P and molecular weight 238.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-dimethoxyphosphoryl-7-hydroxyheptan-2-one
Also Known As: 1-dimethoxyphosphoryl-7-hydroxyheptan-2-one, 1-dimethoxyphosphoryl-7-hydroxy-heptan-2-one, dimethyl (7-hydroxy-2-oxoheptyl)phosphonate, Phosphonic acid, (7-hydroxy-2-oxoheptyl)-, dimethyl ester, Dimethyl-7-hydroxy-2-oxoheptyl phosphonate, 95 %
| Molecular Formula | C9H19O5P |
|---|---|
| Molecular Weight | 238.10 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 72.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 238.09702 |
| Heavy Atoms | 15 |
| Complexity | 221.0 |
Chemical Identifiers
| CAS Number | 68382-89-8 |
|---|---|
| SMILES | COP(=O)(CC(=O)CCCCCO)OC |
| InChIKey | CLPVBZKHVXANKQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Dimethoxyphosphoryl-7-hydroxyheptan-2-one (CAS 68382-89-8), with molecular formula C9H19O5P and molecular weight 238.10 g/mol. IUPAC: 1-dimethoxyphosphoryl-7-hydroxyheptan-2-one.
Chemical Property Profile of 1-Dimethoxyphosphoryl-7-hydroxyheptan-2-one
Property Insights of 1-Dimethoxyphosphoryl-7-hydroxyheptan-2-one
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Dimethoxyphosphoryl-7-hydroxyheptan-2-one. The TPSA of 72.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Dimethoxyphosphoryl-7-hydroxyheptan-2-one. Following Lipinski's Rule of Five, 1-Dimethoxyphosphoryl-7-hydroxyheptan-2-one has 1 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 1-Dimethoxyphosphoryl-7-hydroxyheptan-2-one?
The CAS number of 1-Dimethoxyphosphoryl-7-hydroxyheptan-2-one is 68382-89-8.
What is the molecular formula of 1-Dimethoxyphosphoryl-7-hydroxyheptan-2-one?
The molecular formula of 1-Dimethoxyphosphoryl-7-hydroxyheptan-2-one is C9H19O5P.
What is the molecular weight of 1-Dimethoxyphosphoryl-7-hydroxyheptan-2-one?
The molecular weight of 1-Dimethoxyphosphoryl-7-hydroxyheptan-2-one is 238.10 g/mol.
Where can I buy 1-Dimethoxyphosphoryl-7-hydroxyheptan-2-one?
You can request a quote for 1-Dimethoxyphosphoryl-7-hydroxyheptan-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Dimethoxyphosphoryl-7-hydroxyheptan-2-one?
Yes, KEHONG BIO provides custom synthesis services for 1-Dimethoxyphosphoryl-7-hydroxyheptan-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.