Diisotridecyl phosphate
TL;DR: Diisotridecyl phosphate (CAS 27073-01-4) is a chemical compound with molecular formula C26H55O4P and molecular weight 462.38 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(11-methyldodecyl) hydrogen phosphate
Also Known As: diisotridecyl phosphate, Diisotridecyl hydrogen phosphate, Phosphoric acid, diisotridecyl ester, diisotridecylhydrogenphosphate, bis(11-methyldodecyl) hydrogen phosphate
| Molecular Formula | C26H55O4P |
|---|---|
| Molecular Weight | 462.38 g/mol |
| LogP | 10.7 |
| Topological Polar Surface Area | 55.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 24 |
| Exact Mass | 462.3838 |
| Heavy Atoms | 31 |
| Complexity | 378.0 |
Chemical Identifiers
| CAS Number | 27073-01-4 |
|---|---|
| SMILES | CC(C)CCCCCCCCCCOP(=O)(O)OCCCCCCCCCCC(C)C |
| InChIKey | GMPXNGPHBIHLON-UHFFFAOYSA-N |
Product Overview
Diisotridecyl phosphate (CAS 27073-01-4), with molecular formula C26H55O4P and molecular weight 462.38 g/mol. IUPAC: bis(11-methyldodecyl) hydrogen phosphate.
Chemical Property Profile of Diisotridecyl phosphate
Property Insights of Diisotridecyl phosphate
The XLogP value of 10.7 indicates that Diisotridecyl phosphate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.8 Ų, Diisotridecyl phosphate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diisotridecyl phosphate has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Diisotridecyl phosphate?
The CAS number of Diisotridecyl phosphate is 27073-01-4.
What is the molecular formula of Diisotridecyl phosphate?
The molecular formula of Diisotridecyl phosphate is C26H55O4P.
What is the molecular weight of Diisotridecyl phosphate?
The molecular weight of Diisotridecyl phosphate is 462.38 g/mol.
Where can I buy Diisotridecyl phosphate?
You can request a quote for Diisotridecyl phosphate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diisotridecyl phosphate?
Yes, KEHONG BIO provides custom synthesis services for Diisotridecyl phosphate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.