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Apomine structure
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Apomine

TL;DR: Apomine (CAS 126411-13-0) is a chemical compound with molecular formula C28H52O7P2 and molecular weight 562.31885 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.

4-[2,2-bis[di(propan-2-yloxy)phosphoryl]ethyl]-2,6-ditert-butylphenol

Also Known As: Apomine, SR 9223i, SKF 99085, SR 45023A, APB-231-A2

CAS Number
126411-13-0
Molecular Formula
C28H52O7P2
Molecular Weight
562.31885 g/mol
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Application Areas

Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.

Agrochemicals (1 patents) Organometallic Reagents (10 patents) Pharmaceutical Intermediates (19 patents)

Technical Specifications

Molecular FormulaC28H52O7P2
Molecular Weight562.31885 g/mol
XLogP7.0
Topological Polar Surface Area (TPSA)91.3 Ų
Hydrogen Bond Donors1
Hydrogen Bond Acceptors7
Rotatable Bonds14
Exact Mass562.31885 Da
Heavy Atoms37
Complexity705.0
SMILESCC(C)OP(=O)(C(CC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C)P(=O)(OC(C)C)OC(C)C)OC(C)C
InChIKeyYLJOVCWVJCDPLN-UHFFFAOYSA-N

Chemical Property Profile of Apomine

XLogP
7.0
TPSA (Topological Polar Surface Area)
91.3
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
7
Rotatable Bonds
14
Heavy Atoms
37
Complexity
705.0
Exact Mass
562.31885
Monoisotopic Mass
562.31885
Data Source: Chemical property values are referenced from PubChem, the world's largest open chemistry database maintained by the National Center for Biotechnology Information (NCBI), U.S. National Library of Medicine.

Property Insights of Apomine

The XLogP value of 7.0 indicates that Apomine 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 Apomine. Following Lipinski's Rule of Five, Apomine has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.

Frequently Asked Questions

What is the CAS number of Apomine?

The CAS number of Apomine is 126411-13-0.

What is the molecular formula of Apomine?

The molecular formula of Apomine is C28H52O7P2.

What is the molecular weight of Apomine?

The molecular weight of Apomine is 562.31885 g/mol.

Where can I buy Apomine?

You can request a quote for Apomine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.

Does CoreyChem offer custom synthesis for Apomine?

Yes, CoreyChem provides custom synthesis services for Apomine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.

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