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-dodecafluoro-1-iodooctyl)-
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-dodecafluoro-1-iodooctyl)- (CAS 135587-14-3) is a chemical compound with molecular formula C14H16F12INO3Si and molecular weight 628.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3,3,4,4,5,5,6,6,7,7,8,8-dodecafluoro-1-iodooctyl)-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-dodecafluoro-1-iodooctyl)-, 1-(3,3,4,4,5,5,6,6,7,7,8,8-Dodecafluoro-1-iodooctyl)-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecane, 1-(1-Iodo-3,3,4,4,5,5,6,6,7,7,8,8-dodecafluorooctyl)-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-DODECAFLUORO-1-IODOOCTYL)-, 5-(3,3,4,4,5,5,6,6,7,7,8,8-dodecafluoro-1-iodooctyl)-4,6,11-trioxa-1-aza-5-silabicyclo[3.3.3]undecane
| Molecular Formula | C14H16F12INO3Si |
|---|---|
| Molecular Weight | 628.98 g/mol |
| LogP | 4.4788 |
| Topological Polar Surface Area | 30.93 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 628.9753 |
| Heavy Atoms | 32 |
| Complexity | 644.34283 |
Chemical Identifiers
| CAS Number | 135587-14-3 |
|---|---|
| SMILES | C1CO[Si]2(OCCN1CCO2)C(CC(C(C(C(C(C(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)I |
Product Overview
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-dodecafluoro-1-iodooctyl)- (CAS 135587-14-3), with molecular formula C14H16F12INO3Si and molecular weight 628.98 g/mol. IUPAC: 1-(3,3,4,4,5,5,6,6,7,7,8,8-dodecafluoro-1-iodooctyl)-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecane.
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-dodecafluoro-1-iodooctyl)-
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-dodecafluoro-1-iodooctyl)-
The XLogP value of 4.4788 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-dodecafluoro-1-iodooctyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 30.93 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-dodecafluoro-1-iodooctyl)- 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-dodecafluoro-1-iodooctyl)- 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 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-dodecafluoro-1-iodooctyl)-?
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-dodecafluoro-1-iodooctyl)- is 135587-14-3.
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-dodecafluoro-1-iodooctyl)-?
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-dodecafluoro-1-iodooctyl)- is C14H16F12INO3Si.
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-dodecafluoro-1-iodooctyl)-?
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-dodecafluoro-1-iodooctyl)- is 628.98 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-dodecafluoro-1-iodooctyl)-?
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-dodecafluoro-1-iodooctyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO 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-dodecafluoro-1-iodooctyl)-?
Yes, KEHONG BIO 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-dodecafluoro-1-iodooctyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.