1-Tert-butyl-5-methyl-4-phenyltetrazaborole
TL;DR: 1-Tert-butyl-5-methyl-4-phenyltetrazaborole (CAS 96609-53-9) is a chemical compound with molecular formula C11H17BN4 and molecular weight 216.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-tert-butyl-5-methyl-4-phenyltetrazaborole
Also Known As: 1-tert-butyl-5-methyl-4-phenyltetrazaborole, 1-tert-butyl-5-methyl-4-phenyl-4,5-dihydro-1H-tetrazaborole
| Molecular Formula | C11H17BN4 |
|---|---|
| Molecular Weight | 216.15 g/mol |
| LogP | 3.0073 |
| Topological Polar Surface Area | 31.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 216.15463 |
| Heavy Atoms | 16 |
| Complexity | 268.0 |
Chemical Identifiers
| CAS Number | 96609-53-9 |
|---|---|
| SMILES | B1(N(N=NN1C(C)(C)C)C2=CC=CC=C2)C |
| InChIKey | RLRJFBMTEIXVBL-UHFFFAOYSA-N |
Product Overview
1-Tert-butyl-5-methyl-4-phenyltetrazaborole (CAS 96609-53-9), with molecular formula C11H17BN4 and molecular weight 216.15 g/mol. IUPAC: 1-tert-butyl-5-methyl-4-phenyltetrazaborole.
Chemical Property Profile of 1-Tert-butyl-5-methyl-4-phenyltetrazaborole
Property Insights of 1-Tert-butyl-5-methyl-4-phenyltetrazaborole
The XLogP value of 3.0073 indicates that 1-Tert-butyl-5-methyl-4-phenyltetrazaborole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 31.2 Ų, 1-Tert-butyl-5-methyl-4-phenyltetrazaborole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Tert-butyl-5-methyl-4-phenyltetrazaborole has 0 hydrogen bond donor(s) and 4 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 1-Tert-butyl-5-methyl-4-phenyltetrazaborole?
The CAS number of 1-Tert-butyl-5-methyl-4-phenyltetrazaborole is 96609-53-9.
What is the molecular formula of 1-Tert-butyl-5-methyl-4-phenyltetrazaborole?
The molecular formula of 1-Tert-butyl-5-methyl-4-phenyltetrazaborole is C11H17BN4.
What is the molecular weight of 1-Tert-butyl-5-methyl-4-phenyltetrazaborole?
The molecular weight of 1-Tert-butyl-5-methyl-4-phenyltetrazaborole is 216.15 g/mol.
Where can I buy 1-Tert-butyl-5-methyl-4-phenyltetrazaborole?
You can request a quote for 1-Tert-butyl-5-methyl-4-phenyltetrazaborole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Tert-butyl-5-methyl-4-phenyltetrazaborole?
Yes, KEHONG BIO provides custom synthesis services for 1-Tert-butyl-5-methyl-4-phenyltetrazaborole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.