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2,8,9-Trioxa-5-aza-1-silabicyclo(3.3.3)undecane, 1-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluoro-1-iododecyl)- structure
Fine Chemical

2,8,9-Trioxa-5-aza-1-silabicyclo(3.3.3)undecane, 1-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluoro-1-iododecyl)-

TL;DR: 2,8,9-Trioxa-5-aza-1-silabicyclo(3.3.3)undecane, 1-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluoro-1-iododecyl)- (CAS 135587-17-6) is a chemical compound with molecular formula C16H15F17INO3Si and molecular weight 746.9595 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.

1-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluoro-1-iododecyl)-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecane

Also Known As: 2,8,9-Trioxa-5-aza-1-silabicyclo(3.3.3)undecane, 1-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluoro-1-iododecyl)-, 1-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-Heptadecafluoro-1-iododecyl)-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecane, 2,8,9-TRIOXA-5-AZA-1-SILABICYCLO[3.3.3]UNDECANE,1-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-HEPTADECAFLUORO-1-IODODECYL)-, 5-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluoro-1-iododecyl)-4,6,11-trioxa-1-aza-5-silabicyclo[3.3.3]undecane, 1-(1-Iodo-3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecane

CAS Number
135587-17-6
Molecular Formula
C16H15F17INO3Si
Molecular Weight
746.9595 g/mol
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Technical Specifications

Molecular FormulaC16H15F17INO3Si
Molecular Weight746.9595 g/mol
XLogP6.0466
Topological Polar Surface Area (TPSA)30.9 Ų
Hydrogen Bond Donors0
Hydrogen Bond Acceptors21
Rotatable Bonds9
Exact Mass746.9595 Da
Heavy Atoms39
Complexity860.0
SMILESC1CO[Si]2(OCCN1CCO2)C(CC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)I
InChIKeyAENHPCRNEPBZQL-UHFFFAOYSA-N

Chemical Property Profile of 2,8,9-Trioxa-5-aza-1-silabicyclo(3.3.3)undecane, 1-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluoro-1-iododecyl)-

XLogP
6.0466
TPSA (Topological Polar Surface Area)
30.9
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
21
Rotatable Bonds
9
Heavy Atoms
39
Complexity
860.0
Exact Mass
746.9595
Monoisotopic Mass
746.9595
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 2,8,9-Trioxa-5-aza-1-silabicyclo(3.3.3)undecane, 1-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluoro-1-iododecyl)-

The XLogP value of 6.0466 indicates that 2,8,9-Trioxa-5-aza-1-silabicyclo(3.3.3)undecane, 1-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluoro-1-iododecyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 30.9 Ų, 2,8,9-Trioxa-5-aza-1-silabicyclo(3.3.3)undecane, 1-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluoro-1-iododecyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,8,9-Trioxa-5-aza-1-silabicyclo(3.3.3)undecane, 1-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluoro-1-iododecyl)- has 0 hydrogen bond donor(s) and 21 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.

Frequently Asked Questions

What is the CAS number of 2,8,9-Trioxa-5-aza-1-silabicyclo(3.3.3)undecane, 1-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluoro-1-iododecyl)-?

The CAS number of 2,8,9-Trioxa-5-aza-1-silabicyclo(3.3.3)undecane, 1-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluoro-1-iododecyl)- is 135587-17-6.

What is the molecular formula of 2,8,9-Trioxa-5-aza-1-silabicyclo(3.3.3)undecane, 1-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluoro-1-iododecyl)-?

The molecular formula of 2,8,9-Trioxa-5-aza-1-silabicyclo(3.3.3)undecane, 1-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluoro-1-iododecyl)- is C16H15F17INO3Si.

What is the molecular weight of 2,8,9-Trioxa-5-aza-1-silabicyclo(3.3.3)undecane, 1-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluoro-1-iododecyl)-?

The molecular weight of 2,8,9-Trioxa-5-aza-1-silabicyclo(3.3.3)undecane, 1-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluoro-1-iododecyl)- is 746.9595 g/mol.

Where can I buy 2,8,9-Trioxa-5-aza-1-silabicyclo(3.3.3)undecane, 1-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluoro-1-iododecyl)-?

You can request a quote for 2,8,9-Trioxa-5-aza-1-silabicyclo(3.3.3)undecane, 1-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluoro-1-iododecyl)- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.

Does CoreyChem offer custom synthesis for 2,8,9-Trioxa-5-aza-1-silabicyclo(3.3.3)undecane, 1-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluoro-1-iododecyl)-?

Yes, CoreyChem provides custom synthesis services for 2,8,9-Trioxa-5-aza-1-silabicyclo(3.3.3)undecane, 1-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluoro-1-iododecyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.

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