1H-Tetrazaborole, 4,5-dihydro-1,4,5-trimethyl-
TL;DR: 1H-Tetrazaborole, 4,5-dihydro-1,4,5-trimethyl- (CAS 20546-18-3) is a chemical compound with molecular formula C3H9BN4 and molecular weight 112.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,4,5-trimethyltetrazaborole
Also Known As: 1,4,5-trimethyltetrazaborole, .delta.2-Tetrazaboroline, 1,4,5-trimethyl-, 1H-Tetrazaborole, 4,5-dihydro-1,4,5-trimethyl-, 4,5-Dihydro-1,4,5-trimethyl -1h-tetrazaborole, 4,5-Dihydro-1,4,5-trimethyl-1H-tetrazaborole
| Molecular Formula | C3H9BN4 |
|---|---|
| Molecular Weight | 112.09 g/mol |
| LogP | 0.2638 |
| Topological Polar Surface Area | 31.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 112.092026 |
| Heavy Atoms | 8 |
| Complexity | 102.0 |
Chemical Identifiers
| CAS Number | 20546-18-3 |
|---|---|
| SMILES | B1(N(N=NN1C)C)C |
| InChIKey | DFAXTGNYQWFIBM-UHFFFAOYSA-N |
Product Overview
1H-Tetrazaborole, 4,5-dihydro-1,4,5-trimethyl- (CAS 20546-18-3), with molecular formula C3H9BN4 and molecular weight 112.09 g/mol. IUPAC: 1,4,5-trimethyltetrazaborole.
Chemical Property Profile of 1H-Tetrazaborole, 4,5-dihydro-1,4,5-trimethyl-
Property Insights of 1H-Tetrazaborole, 4,5-dihydro-1,4,5-trimethyl-
The XLogP value of 0.2638 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Tetrazaborole, 4,5-dihydro-1,4,5-trimethyl-. With a topological polar surface area (TPSA) of 31.2 Ų, 1H-Tetrazaborole, 4,5-dihydro-1,4,5-trimethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-Tetrazaborole, 4,5-dihydro-1,4,5-trimethyl- 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 1H-Tetrazaborole, 4,5-dihydro-1,4,5-trimethyl-?
The CAS number of 1H-Tetrazaborole, 4,5-dihydro-1,4,5-trimethyl- is 20546-18-3.
What is the molecular formula of 1H-Tetrazaborole, 4,5-dihydro-1,4,5-trimethyl-?
The molecular formula of 1H-Tetrazaborole, 4,5-dihydro-1,4,5-trimethyl- is C3H9BN4.
What is the molecular weight of 1H-Tetrazaborole, 4,5-dihydro-1,4,5-trimethyl-?
The molecular weight of 1H-Tetrazaborole, 4,5-dihydro-1,4,5-trimethyl- is 112.09 g/mol.
Where can I buy 1H-Tetrazaborole, 4,5-dihydro-1,4,5-trimethyl-?
You can request a quote for 1H-Tetrazaborole, 4,5-dihydro-1,4,5-trimethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Tetrazaborole, 4,5-dihydro-1,4,5-trimethyl-?
Yes, KEHONG BIO provides custom synthesis services for 1H-Tetrazaborole, 4,5-dihydro-1,4,5-trimethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.