Diphosphoric acid, P,P'-diisooctyl ester
TL;DR: Diphosphoric acid, P,P'-diisooctyl ester (CAS 70729-86-1) is a chemical compound with molecular formula C16H36O7P2 and molecular weight 402.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[hydroxy(6-methylheptoxy)phosphoryl] 6-methylheptyl hydrogen phosphate
Also Known As: Diphosphoric acid, diisooctyl ester, DIISOOCTYL PYROPHOSPHATE, Diphosphoric acid, P,P'-diisooctyl ester, Bis(6-methylheptyl) dihydrogen diphosphate #, [hydroxy(6-methylheptoxy)phosphoryl] 6-methylheptyl hydrogen phosphate
| Molecular Formula | C16H36O7P2 |
|---|---|
| Molecular Weight | 402.19 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 102.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 16 |
| Exact Mass | 402.19363 |
| Heavy Atoms | 25 |
| Complexity | 389.0 |
Chemical Identifiers
| CAS Number | 70729-86-1 |
|---|---|
| SMILES | CC(C)CCCCCOP(=O)(O)OP(=O)(O)OCCCCCC(C)C |
| InChIKey | OCBFMRMLYONXSW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Diphosphoric acid, P,P'-diisooctyl ester (CAS 70729-86-1), with molecular formula C16H36O7P2 and molecular weight 402.19 g/mol. IUPAC: [hydroxy(6-methylheptoxy)phosphoryl] 6-methylheptyl hydrogen phosphate.
Chemical Property Profile of Diphosphoric acid, P,P'-diisooctyl ester
Property Insights of Diphosphoric acid, P,P'-diisooctyl ester
The XLogP value of 4.1 indicates that Diphosphoric acid, P,P'-diisooctyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 102.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Diphosphoric acid, P,P'-diisooctyl ester. Following Lipinski's Rule of Five, Diphosphoric acid, P,P'-diisooctyl ester has 2 hydrogen bond donor(s) and 7 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 Diphosphoric acid, P,P'-diisooctyl ester?
The CAS number of Diphosphoric acid, P,P'-diisooctyl ester is 70729-86-1.
What is the molecular formula of Diphosphoric acid, P,P'-diisooctyl ester?
The molecular formula of Diphosphoric acid, P,P'-diisooctyl ester is C16H36O7P2.
What is the molecular weight of Diphosphoric acid, P,P'-diisooctyl ester?
The molecular weight of Diphosphoric acid, P,P'-diisooctyl ester is 402.19 g/mol.
Where can I buy Diphosphoric acid, P,P'-diisooctyl ester?
You can request a quote for Diphosphoric acid, P,P'-diisooctyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diphosphoric acid, P,P'-diisooctyl ester?
Yes, KEHONG BIO provides custom synthesis services for Diphosphoric acid, P,P'-diisooctyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.