1H-Tetrazole, 5-chloro-1-(1,1-dimethylethyl)-
TL;DR: 1H-Tetrazole, 5-chloro-1-(1,1-dimethylethyl)- (CAS 59772-99-5) is a chemical compound with molecular formula C5H9ClN4 and molecular weight 160.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-tert-butyl-5-chlorotetrazole
Also Known As: 1-tert-butyl-5-chlorotetrazole, 1-tert-butyl-5-chloro-tetrazole, 5-Chloro-1-tert-butyl-tetrazole, 1H-Tetrazole, 5-chloro-1-(1,1-dimethylethyl)-, 1-tert-Butyl-5-chloro-1H-tetrazole
| Molecular Formula | C5H9ClN4 |
|---|---|
| Molecular Weight | 160.05 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 43.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 160.05157 |
| Heavy Atoms | 10 |
| Complexity | 121.0 |
Chemical Identifiers
| CAS Number | 59772-99-5 |
|---|---|
| SMILES | CC(C)(C)N1C(=NN=N1)Cl |
| InChIKey | URZUSFRJURZOEM-UHFFFAOYSA-N |
Product Overview
1H-Tetrazole, 5-chloro-1-(1,1-dimethylethyl)- (CAS 59772-99-5), with molecular formula C5H9ClN4 and molecular weight 160.05 g/mol. IUPAC: 1-tert-butyl-5-chlorotetrazole.
Chemical Property Profile of 1H-Tetrazole, 5-chloro-1-(1,1-dimethylethyl)-
Property Insights of 1H-Tetrazole, 5-chloro-1-(1,1-dimethylethyl)-
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Tetrazole, 5-chloro-1-(1,1-dimethylethyl)-. With a topological polar surface area (TPSA) of 43.6 Ų, 1H-Tetrazole, 5-chloro-1-(1,1-dimethylethyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-Tetrazole, 5-chloro-1-(1,1-dimethylethyl)- has 0 hydrogen bond donor(s) and 3 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-Tetrazole, 5-chloro-1-(1,1-dimethylethyl)-?
The CAS number of 1H-Tetrazole, 5-chloro-1-(1,1-dimethylethyl)- is 59772-99-5.
What is the molecular formula of 1H-Tetrazole, 5-chloro-1-(1,1-dimethylethyl)-?
The molecular formula of 1H-Tetrazole, 5-chloro-1-(1,1-dimethylethyl)- is C5H9ClN4.
What is the molecular weight of 1H-Tetrazole, 5-chloro-1-(1,1-dimethylethyl)-?
The molecular weight of 1H-Tetrazole, 5-chloro-1-(1,1-dimethylethyl)- is 160.05 g/mol.
Where can I buy 1H-Tetrazole, 5-chloro-1-(1,1-dimethylethyl)-?
You can request a quote for 1H-Tetrazole, 5-chloro-1-(1,1-dimethylethyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Tetrazole, 5-chloro-1-(1,1-dimethylethyl)-?
Yes, KEHONG BIO provides custom synthesis services for 1H-Tetrazole, 5-chloro-1-(1,1-dimethylethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.