5-Bromo-1,4-dimethyltetrazaborole
TL;DR: 5-Bromo-1,4-dimethyltetrazaborole (CAS 21960-50-9) is a chemical compound with molecular formula C2H6BBrN4 and molecular weight 175.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-bromo-1,4-dimethyltetrazaborole
Also Known As: 5-bromo-1,4-dimethyltetrazaborole, 2,5-Dimethyl-1-bromocyclotetrazenoborane, .delta.2-Tetrazaboroline, 5-bromo-1,4-dimethyl-, 5-Bromo-1,4-dimethyl-4,5-dihydro-1H-tetrazaborole, 5-Bromo-4,5-dihydro-1,4-dimethyl-1H-tetrazaborole
| Molecular Formula | C2H6BBrN4 |
|---|---|
| Molecular Weight | 175.99 g/mol |
| LogP | 0.5256 |
| Topological Polar Surface Area | 31.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 175.9869 |
| Heavy Atoms | 8 |
| Complexity | 105.0 |
Chemical Identifiers
| CAS Number | 21960-50-9 |
|---|---|
| SMILES | B1(N(N=NN1C)C)Br |
| InChIKey | AKFKHFLULRELSN-UHFFFAOYSA-N |
Product Overview
5-Bromo-1,4-dimethyltetrazaborole (CAS 21960-50-9), with molecular formula C2H6BBrN4 and molecular weight 175.99 g/mol. IUPAC: 5-bromo-1,4-dimethyltetrazaborole.
Chemical Property Profile of 5-Bromo-1,4-dimethyltetrazaborole
Property Insights of 5-Bromo-1,4-dimethyltetrazaborole
The XLogP value of 0.5256 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Bromo-1,4-dimethyltetrazaborole. With a topological polar surface area (TPSA) of 31.2 Ų, 5-Bromo-1,4-dimethyltetrazaborole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Bromo-1,4-dimethyltetrazaborole 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-Bromo-1,4-dimethyltetrazaborole?
The CAS number of 5-Bromo-1,4-dimethyltetrazaborole is 21960-50-9.
What is the molecular formula of 5-Bromo-1,4-dimethyltetrazaborole?
The molecular formula of 5-Bromo-1,4-dimethyltetrazaborole is C2H6BBrN4.
What is the molecular weight of 5-Bromo-1,4-dimethyltetrazaborole?
The molecular weight of 5-Bromo-1,4-dimethyltetrazaborole is 175.99 g/mol.
Where can I buy 5-Bromo-1,4-dimethyltetrazaborole?
You can request a quote for 5-Bromo-1,4-dimethyltetrazaborole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Bromo-1,4-dimethyltetrazaborole?
Yes, KEHONG BIO provides custom synthesis services for 5-Bromo-1,4-dimethyltetrazaborole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.