1,1'-((1R)-1-((Phosphonooxy)methyl)-1,2-ethanediyl) dioctanoate
TL;DR: 1,1'-((1R)-1-((Phosphonooxy)methyl)-1,2-ethanediyl) dioctanoate (CAS 102731-57-7) is a chemical compound with molecular formula C19H37O8P and molecular weight 424.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R)-2-octanoyloxy-3-phosphonooxypropyl] octanoate
Also Known As: Dic8PA, Dioctanoylphosphatidic acid, 1,2-dioctanoyl-sn-glycero-3-phosphate, Dioctanoyl Phosphatidic Acid, 1,2-Dioctanoylphosphatidic acid
| Molecular Formula | C19H37O8P |
|---|---|
| Molecular Weight | 424.22 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 119.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 20 |
| Exact Mass | 424.2226 |
| Heavy Atoms | 28 |
| Complexity | 463.0 |
Chemical Identifiers
| CAS Number | 102731-57-7 |
|---|---|
| SMILES | CCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCCC |
| InChIKey | XYSBQYUENLDGMI-QGZVFWFLSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,1'-((1R)-1-((Phosphonooxy)methyl)-1,2-ethanediyl) dioctanoate (CAS 102731-57-7), with molecular formula C19H37O8P and molecular weight 424.22 g/mol. IUPAC: [(2R)-2-octanoyloxy-3-phosphonooxypropyl] octanoate.
Chemical Property Profile of 1,1'-((1R)-1-((Phosphonooxy)methyl)-1,2-ethanediyl) dioctanoate
Property Insights of 1,1'-((1R)-1-((Phosphonooxy)methyl)-1,2-ethanediyl) dioctanoate
The XLogP value of 4.3 indicates that 1,1'-((1R)-1-((Phosphonooxy)methyl)-1,2-ethanediyl) dioctanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 119.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,1'-((1R)-1-((Phosphonooxy)methyl)-1,2-ethanediyl) dioctanoate. Following Lipinski's Rule of Five, 1,1'-((1R)-1-((Phosphonooxy)methyl)-1,2-ethanediyl) dioctanoate has 2 hydrogen bond donor(s) and 8 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 1,1'-((1R)-1-((Phosphonooxy)methyl)-1,2-ethanediyl) dioctanoate?
The CAS number of 1,1'-((1R)-1-((Phosphonooxy)methyl)-1,2-ethanediyl) dioctanoate is 102731-57-7.
What is the molecular formula of 1,1'-((1R)-1-((Phosphonooxy)methyl)-1,2-ethanediyl) dioctanoate?
The molecular formula of 1,1'-((1R)-1-((Phosphonooxy)methyl)-1,2-ethanediyl) dioctanoate is C19H37O8P.
What is the molecular weight of 1,1'-((1R)-1-((Phosphonooxy)methyl)-1,2-ethanediyl) dioctanoate?
The molecular weight of 1,1'-((1R)-1-((Phosphonooxy)methyl)-1,2-ethanediyl) dioctanoate is 424.22 g/mol.
Where can I buy 1,1'-((1R)-1-((Phosphonooxy)methyl)-1,2-ethanediyl) dioctanoate?
You can request a quote for 1,1'-((1R)-1-((Phosphonooxy)methyl)-1,2-ethanediyl) dioctanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1'-((1R)-1-((Phosphonooxy)methyl)-1,2-ethanediyl) dioctanoate?
Yes, KEHONG BIO provides custom synthesis services for 1,1'-((1R)-1-((Phosphonooxy)methyl)-1,2-ethanediyl) dioctanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.