2-tert-Butyl-3,3-dimethyl-3H-1,3-benzazasilole
TL;DR: 2-tert-Butyl-3,3-dimethyl-3H-1,3-benzazasilole (CAS 64414-18-2) is a chemical compound with molecular formula C13H19NSi and molecular weight 217.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-tert-butyl-3,3-dimethyl-1,3-benzazasilole
Also Known As: 2-tert-butyl-3,3-dimethyl-1,3-benzazasilole, 2-tert-Butyl-3,3-dimethyl-3H-1,3-benzazasilole
| Molecular Formula | C13H19NSi |
|---|---|
| Molecular Weight | 217.13 g/mol |
| LogP | 3.2734 |
| Topological Polar Surface Area | 12.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 217.12868 |
| Heavy Atoms | 15 |
| Complexity | 285.0 |
Chemical Identifiers
| CAS Number | 64414-18-2 |
|---|---|
| SMILES | CC(C)(C)C1=NC2=CC=CC=C2[Si]1(C)C |
| InChIKey | VFGCREAJXAATLR-UHFFFAOYSA-N |
Product Overview
2-tert-Butyl-3,3-dimethyl-3H-1,3-benzazasilole (CAS 64414-18-2), with molecular formula C13H19NSi and molecular weight 217.13 g/mol. IUPAC: 2-tert-butyl-3,3-dimethyl-1,3-benzazasilole.
Chemical Property Profile of 2-tert-Butyl-3,3-dimethyl-3H-1,3-benzazasilole
Property Insights of 2-tert-Butyl-3,3-dimethyl-3H-1,3-benzazasilole
The XLogP value of 3.2734 indicates that 2-tert-Butyl-3,3-dimethyl-3H-1,3-benzazasilole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.4 Ų, 2-tert-Butyl-3,3-dimethyl-3H-1,3-benzazasilole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-tert-Butyl-3,3-dimethyl-3H-1,3-benzazasilole has 0 hydrogen bond donor(s) and 1 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 2-tert-Butyl-3,3-dimethyl-3H-1,3-benzazasilole?
The CAS number of 2-tert-Butyl-3,3-dimethyl-3H-1,3-benzazasilole is 64414-18-2.
What is the molecular formula of 2-tert-Butyl-3,3-dimethyl-3H-1,3-benzazasilole?
The molecular formula of 2-tert-Butyl-3,3-dimethyl-3H-1,3-benzazasilole is C13H19NSi.
What is the molecular weight of 2-tert-Butyl-3,3-dimethyl-3H-1,3-benzazasilole?
The molecular weight of 2-tert-Butyl-3,3-dimethyl-3H-1,3-benzazasilole is 217.13 g/mol.
Where can I buy 2-tert-Butyl-3,3-dimethyl-3H-1,3-benzazasilole?
You can request a quote for 2-tert-Butyl-3,3-dimethyl-3H-1,3-benzazasilole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-tert-Butyl-3,3-dimethyl-3H-1,3-benzazasilole?
Yes, KEHONG BIO provides custom synthesis services for 2-tert-Butyl-3,3-dimethyl-3H-1,3-benzazasilole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.