二异辛基苯基磷酸酯
TL;DR: 二异辛基苯基磷酸酯 (CAS 56846-22-1) is a chemical compound with molecular formula C22H39O4P and molecular weight 398.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
二异辛基苯基磷酸酯
bis(6-methylheptyl) phenyl phosphate
Also Known As: Diisooctyl phenyl phosphate, bis(6-methylheptyl) phenyl phosphate, Phosphoric acid, diisooctyl phenyl ester, Phosphoric acid,diisooctyl phenyl ester, Phosphoric acid di(6-methylheptyl)=phenyl ester
| Molecular Formula | C22H39O4P |
|---|---|
| Molecular Weight | 398.26 g/mol |
| LogP | 8.0 |
| Topological Polar Surface Area | 44.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 16 |
| Exact Mass | 398.2586 |
| Heavy Atoms | 27 |
| Complexity | 368.0 |
Chemical Identifiers
| CAS Number | 56846-22-1 |
|---|---|
| SMILES | CC(C)CCCCCOP(=O)(OCCCCCC(C)C)OC1=CC=CC=C1 |
| InChIKey | NQOFUSUDAMVORD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
二异辛基苯基磷酸酯 (CAS 56846-22-1), with molecular formula C22H39O4P and molecular weight 398.26 g/mol. IUPAC: bis(6-methylheptyl) phenyl phosphate.
Chemical Property Profile of 二异辛基苯基磷酸酯
Property Insights of 二异辛基苯基磷酸酯
The XLogP value of 8.0 indicates that 二异辛基苯基磷酸酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.8 Ų, 二异辛基苯基磷酸酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 二异辛基苯基磷酸酯 has 0 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 二异辛基苯基磷酸酯?
The CAS number of 二异辛基苯基磷酸酯 is 56846-22-1.
What is the molecular formula of 二异辛基苯基磷酸酯?
The molecular formula of 二异辛基苯基磷酸酯 is C22H39O4P.
What is the molecular weight of 二异辛基苯基磷酸酯?
The molecular weight of 二异辛基苯基磷酸酯 is 398.26 g/mol.
Where can I buy 二异辛基苯基磷酸酯?
You can request a quote for 二异辛基苯基磷酸酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 二异辛基苯基磷酸酯?
Yes, KEHONG BIO provides custom synthesis services for 二异辛基苯基磷酸酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.