trans-Cyclohexanediolisobutyl-POSS®
TL;DR: trans-Cyclohexanediolisobutyl-POSS® (CAS 480439-48-3) is a chemical compound with molecular formula C36H78O14Si8 and molecular weight 958.35 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[2-[3,5,7,9,11,13,15-heptakis(2-methylpropyl)-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosan-1-yl]ethyl]cyclohexane-1,2-diol
Also Known As: trans-Cyclohexanediolisobutyl-POSS®, PSS-(2-(TRANS-3 4-CYCLOHEXANEDIOL)ETHYL&, POSS®-trans-cyclohexanediol-isobutyl substituted, PSS-(2-(trans-3,4-Cyclohexanediol)ethyl)-Heptaisobutyl substituted, 4-[2-[3,5,7,9,11,13,15-Heptakis(2-methylpropyl)-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosan-1-yl]ethyl]cyclohexane-1,2-diol
| Molecular Formula | C36H78O14Si8 |
|---|---|
| Molecular Weight | 958.35 g/mol |
| LogP | 8.2688 |
| Topological Polar Surface Area | 151.22 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 17 |
| Exact Mass | 958.35455 |
| Heavy Atoms | 58 |
| Complexity | 1260.3805 |
Chemical Identifiers
| CAS Number | 480439-48-3 |
|---|---|
| SMILES | CC(C)C[Si]12O[Si]3(O[Si]4(O[Si](O1)(O[Si]5(O[Si](O2)(O[Si](O3)(O[Si](O4)(O5)CC(C)C)CC(C)C)CC(C)C)CC(C)C)CC(C)C)CC(C)C)CCC6CCC(C(C6)O)O |
Product Overview
trans-Cyclohexanediolisobutyl-POSS® (CAS 480439-48-3), with molecular formula C36H78O14Si8 and molecular weight 958.35 g/mol. IUPAC: 4-[2-[3,5,7,9,11,13,15-heptakis(2-methylpropyl)-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosan-1-yl]ethyl]cyclohexane-1,2-diol.
Chemical Property Profile of trans-Cyclohexanediolisobutyl-POSS®
Property Insights of trans-Cyclohexanediolisobutyl-POSS®
The XLogP value of 8.2688 indicates that trans-Cyclohexanediolisobutyl-POSS® is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 151.22 Ų indicates high polarity, suggesting trans-Cyclohexanediolisobutyl-POSS® may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, trans-Cyclohexanediolisobutyl-POSS® has 2 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of trans-Cyclohexanediolisobutyl-POSS®?
The CAS number of trans-Cyclohexanediolisobutyl-POSS® is 480439-48-3.
What is the molecular formula of trans-Cyclohexanediolisobutyl-POSS®?
The molecular formula of trans-Cyclohexanediolisobutyl-POSS® is C36H78O14Si8.
What is the molecular weight of trans-Cyclohexanediolisobutyl-POSS®?
The molecular weight of trans-Cyclohexanediolisobutyl-POSS® is 958.35 g/mol.
Where can I buy trans-Cyclohexanediolisobutyl-POSS®?
You can request a quote for trans-Cyclohexanediolisobutyl-POSS® directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for trans-Cyclohexanediolisobutyl-POSS®?
Yes, KEHONG BIO provides custom synthesis services for trans-Cyclohexanediolisobutyl-POSS® and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.