5-Methyl-1,4-diphenyltetrazaborole
TL;DR: 5-Methyl-1,4-diphenyltetrazaborole (CAS 20534-05-8) is a chemical compound with molecular formula C13H13BN4 and molecular weight 236.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methyl-1,4-diphenyltetrazaborole
Also Known As: 5-methyl-1,4-diphenyltetrazaborole, 5-Methyl-1,4-diphenyl-4,5-dihydro-1H-tetrazaborole, .delta.2-Tetrazaboroline, 5-methyl-1,4-diphenyl-, 5-Methyl -1,4-diphenyl -4,5-dihydro-1h-tetrazaborole, 5-methyl-1,4-diphenyl-4,5-dihydro-1H-1,2,3,4,5-tetrazaborole
| Molecular Formula | C13H13BN4 |
|---|---|
| Molecular Weight | 236.12 g/mol |
| LogP | 3.4134 |
| Topological Polar Surface Area | 31.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 236.12332 |
| Heavy Atoms | 18 |
| Complexity | 269.0 |
Chemical Identifiers
| CAS Number | 20534-05-8 |
|---|---|
| SMILES | B1(N(N=NN1C2=CC=CC=C2)C3=CC=CC=C3)C |
| InChIKey | XQVIZSMARUTOOA-UHFFFAOYSA-N |
Product Overview
5-Methyl-1,4-diphenyltetrazaborole (CAS 20534-05-8), with molecular formula C13H13BN4 and molecular weight 236.12 g/mol. IUPAC: 5-methyl-1,4-diphenyltetrazaborole.
Chemical Property Profile of 5-Methyl-1,4-diphenyltetrazaborole
Property Insights of 5-Methyl-1,4-diphenyltetrazaborole
The XLogP value of 3.4134 indicates that 5-Methyl-1,4-diphenyltetrazaborole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 31.2 Ų, 5-Methyl-1,4-diphenyltetrazaborole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Methyl-1,4-diphenyltetrazaborole 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 5-Methyl-1,4-diphenyltetrazaborole?
The CAS number of 5-Methyl-1,4-diphenyltetrazaborole is 20534-05-8.
What is the molecular formula of 5-Methyl-1,4-diphenyltetrazaborole?
The molecular formula of 5-Methyl-1,4-diphenyltetrazaborole is C13H13BN4.
What is the molecular weight of 5-Methyl-1,4-diphenyltetrazaborole?
The molecular weight of 5-Methyl-1,4-diphenyltetrazaborole is 236.12 g/mol.
Where can I buy 5-Methyl-1,4-diphenyltetrazaborole?
You can request a quote for 5-Methyl-1,4-diphenyltetrazaborole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Methyl-1,4-diphenyltetrazaborole?
Yes, KEHONG BIO provides custom synthesis services for 5-Methyl-1,4-diphenyltetrazaborole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.