1-(Diethoxyphosphoryl)heptyl acetate
TL;DR: 1-(Diethoxyphosphoryl)heptyl acetate (CAS 3473-52-7) is a chemical compound with molecular formula C13H27O5P and molecular weight 294.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-diethoxyphosphorylheptyl acetate
Also Known As: 1-(diethoxyphosphoryl)heptyl acetate, NCIOpen2_004266, 1-diethoxyphosphorylheptyl acetate, KST-1B3403, <1-Acetoxy-heptylphosphonsaeure>-diaethylester
| Molecular Formula | C13H27O5P |
|---|---|
| Molecular Weight | 294.16 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 61.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 12 |
| Exact Mass | 294.1596 |
| Heavy Atoms | 19 |
| Complexity | 283.0 |
Chemical Identifiers
| CAS Number | 3473-52-7 |
|---|---|
| SMILES | CCCCCCC(OC(=O)C)P(=O)(OCC)OCC |
| InChIKey | CAKNEATXKDPGPN-UHFFFAOYSA-N |
Product Overview
1-(Diethoxyphosphoryl)heptyl acetate (CAS 3473-52-7), with molecular formula C13H27O5P and molecular weight 294.16 g/mol. IUPAC: 1-diethoxyphosphorylheptyl acetate.
Chemical Property Profile of 1-(Diethoxyphosphoryl)heptyl acetate
Property Insights of 1-(Diethoxyphosphoryl)heptyl acetate
The XLogP value of 3.1 indicates that 1-(Diethoxyphosphoryl)heptyl acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(Diethoxyphosphoryl)heptyl acetate. Following Lipinski's Rule of Five, 1-(Diethoxyphosphoryl)heptyl acetate 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 1-(Diethoxyphosphoryl)heptyl acetate?
The CAS number of 1-(Diethoxyphosphoryl)heptyl acetate is 3473-52-7.
What is the molecular formula of 1-(Diethoxyphosphoryl)heptyl acetate?
The molecular formula of 1-(Diethoxyphosphoryl)heptyl acetate is C13H27O5P.
What is the molecular weight of 1-(Diethoxyphosphoryl)heptyl acetate?
The molecular weight of 1-(Diethoxyphosphoryl)heptyl acetate is 294.16 g/mol.
Where can I buy 1-(Diethoxyphosphoryl)heptyl acetate?
You can request a quote for 1-(Diethoxyphosphoryl)heptyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(Diethoxyphosphoryl)heptyl acetate?
Yes, KEHONG BIO provides custom synthesis services for 1-(Diethoxyphosphoryl)heptyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.