Diphosphoric acid, P,P,P'-tris(3-methylbutyl) ester
TL;DR: Diphosphoric acid, P,P,P'-tris(3-methylbutyl) ester (CAS 70714-98-6) is a chemical compound with molecular formula C15H34O7P2 and molecular weight 388.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[hydroxy(3-methylbutoxy)phosphoryl] bis(3-methylbutyl) phosphate
Also Known As: Diphosphoric acid, triisoamyl ester, Diphosphoric acid, tris(3-methylbutyl) ester, tris(3-methylbutyl) hydrogen diphosphate, Diphosphoric acid, P,P,P'-tris(3-methylbutyl) ester, DIPHOSPHORIC ACID TRIS(3-METHYLBUTYL) ESTER
| Molecular Formula | C15H34O7P2 |
|---|---|
| Molecular Weight | 388.18 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 91.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 14 |
| Exact Mass | 388.17798 |
| Heavy Atoms | 24 |
| Complexity | 406.0 |
Chemical Identifiers
| CAS Number | 70714-98-6 |
|---|---|
| SMILES | CC(C)CCOP(=O)(O)OP(=O)(OCCC(C)C)OCCC(C)C |
| InChIKey | JEAXWMPPPGJBFX-UHFFFAOYSA-N |
Product Overview
Diphosphoric acid, P,P,P'-tris(3-methylbutyl) ester (CAS 70714-98-6), with molecular formula C15H34O7P2 and molecular weight 388.18 g/mol. IUPAC: [hydroxy(3-methylbutoxy)phosphoryl] bis(3-methylbutyl) phosphate.
Chemical Property Profile of Diphosphoric acid, P,P,P'-tris(3-methylbutyl) ester
Property Insights of Diphosphoric acid, P,P,P'-tris(3-methylbutyl) ester
The XLogP value of 3.5 indicates that Diphosphoric acid, P,P,P'-tris(3-methylbutyl) ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Diphosphoric acid, P,P,P'-tris(3-methylbutyl) ester. Following Lipinski's Rule of Five, Diphosphoric acid, P,P,P'-tris(3-methylbutyl) ester has 1 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,P'-tris(3-methylbutyl) ester?
The CAS number of Diphosphoric acid, P,P,P'-tris(3-methylbutyl) ester is 70714-98-6.
What is the molecular formula of Diphosphoric acid, P,P,P'-tris(3-methylbutyl) ester?
The molecular formula of Diphosphoric acid, P,P,P'-tris(3-methylbutyl) ester is C15H34O7P2.
What is the molecular weight of Diphosphoric acid, P,P,P'-tris(3-methylbutyl) ester?
The molecular weight of Diphosphoric acid, P,P,P'-tris(3-methylbutyl) ester is 388.18 g/mol.
Where can I buy Diphosphoric acid, P,P,P'-tris(3-methylbutyl) ester?
You can request a quote for Diphosphoric acid, P,P,P'-tris(3-methylbutyl) 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,P'-tris(3-methylbutyl) ester?
Yes, KEHONG BIO provides custom synthesis services for Diphosphoric acid, P,P,P'-tris(3-methylbutyl) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.