Diphosphoric acid, P,P'-ditridecyl ester
TL;DR: Diphosphoric acid, P,P'-ditridecyl ester (CAS 70714-99-7) is a chemical compound with molecular formula C26H56O7P2 and molecular weight 542.35 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[hydroxy(tridecoxy)phosphoryl] tridecyl hydrogen phosphate
Also Known As: ditridecyl dihydrogen diphosphate, Diphosphoric acid, bis(tridecyl) ester, Diphosphoric acid, P,P'-ditridecyl ester, 3,5,5,8,8-pentamethyloctahydronaphthalen-2(1h)-one, [hydroxy(tridecoxy)phosphoryl] tridecyl hydrogen phosphate
| Molecular Formula | C26H56O7P2 |
|---|---|
| Molecular Weight | 542.35 g/mol |
| LogP | 10.1 |
| Topological Polar Surface Area | 102.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 28 |
| Exact Mass | 542.3501 |
| Heavy Atoms | 35 |
| Complexity | 500.0 |
Chemical Identifiers
| CAS Number | 70714-99-7 |
|---|---|
| SMILES | CCCCCCCCCCCCCOP(=O)(O)OP(=O)(O)OCCCCCCCCCCCCC |
| InChIKey | BFRSLHVLLJWJPS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Diphosphoric acid, P,P'-ditridecyl ester (CAS 70714-99-7), with molecular formula C26H56O7P2 and molecular weight 542.35 g/mol. IUPAC: [hydroxy(tridecoxy)phosphoryl] tridecyl hydrogen phosphate.
Chemical Property Profile of Diphosphoric acid, P,P'-ditridecyl ester
Property Insights of Diphosphoric acid, P,P'-ditridecyl ester
The XLogP value of 10.1 indicates that Diphosphoric acid, P,P'-ditridecyl 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'-ditridecyl ester. Following Lipinski's Rule of Five, Diphosphoric acid, P,P'-ditridecyl ester has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Diphosphoric acid, P,P'-ditridecyl ester?
The CAS number of Diphosphoric acid, P,P'-ditridecyl ester is 70714-99-7.
What is the molecular formula of Diphosphoric acid, P,P'-ditridecyl ester?
The molecular formula of Diphosphoric acid, P,P'-ditridecyl ester is C26H56O7P2.
What is the molecular weight of Diphosphoric acid, P,P'-ditridecyl ester?
The molecular weight of Diphosphoric acid, P,P'-ditridecyl ester is 542.35 g/mol.
Where can I buy Diphosphoric acid, P,P'-ditridecyl ester?
You can request a quote for Diphosphoric acid, P,P'-ditridecyl 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'-ditridecyl ester?
Yes, KEHONG BIO provides custom synthesis services for Diphosphoric acid, P,P'-ditridecyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.