Isopropoxysilatrane
TL;DR: Isopropoxysilatrane (CAS 31368-59-9) is a chemical compound with molecular formula C9H19NO4Si and molecular weight 233.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-propan-2-yloxy-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecane
Also Known As: Isopropoxysilatrane, 1-isoropyloxy-silatrane, 1-(Isopropoxy)silatrane, 2,8,9-Trioxa-5-aza-1-silabicyclo(3.3.3)undecane, 1-(1-methylethoxy)-, 5-propan-2-yloxy-4,6,11-trioxa-1-aza-5-silabicyclo[3.3.3]undecane
| Molecular Formula | C9H19NO4Si |
|---|---|
| Molecular Weight | 233.11 g/mol |
| LogP | 0.226 |
| Topological Polar Surface Area | 40.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 233.10834 |
| Heavy Atoms | 15 |
| Complexity | 188.0 |
Chemical Identifiers
| CAS Number | 31368-59-9 |
|---|---|
| SMILES | CC(C)O[Si]12OCCN(CCO1)CCO2 |
| InChIKey | MMGCYKXCCAJHDV-UHFFFAOYSA-N |
Product Overview
Isopropoxysilatrane (CAS 31368-59-9), with molecular formula C9H19NO4Si and molecular weight 233.11 g/mol. IUPAC: 1-propan-2-yloxy-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecane.
Chemical Property Profile of Isopropoxysilatrane
Property Insights of Isopropoxysilatrane
The XLogP value of 0.226 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isopropoxysilatrane. With a topological polar surface area (TPSA) of 40.2 Ų, Isopropoxysilatrane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isopropoxysilatrane has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Isopropoxysilatrane?
The CAS number of Isopropoxysilatrane is 31368-59-9.
What is the molecular formula of Isopropoxysilatrane?
The molecular formula of Isopropoxysilatrane is C9H19NO4Si.
What is the molecular weight of Isopropoxysilatrane?
The molecular weight of Isopropoxysilatrane is 233.11 g/mol.
Where can I buy Isopropoxysilatrane?
You can request a quote for Isopropoxysilatrane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isopropoxysilatrane?
Yes, KEHONG BIO provides custom synthesis services for Isopropoxysilatrane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.