4H-1,2-Diazepine, 3,7-bis(1,1-dimethylethyl)-5-methyl-
TL;DR: 4H-1,2-Diazepine, 3,7-bis(1,1-dimethylethyl)-5-methyl- (CAS 59173-26-1) is a chemical compound with molecular formula C14H24N2 and molecular weight 220.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,7-ditert-butyl-5-methyl-4H-diazepine
Also Known As: 3,7-ditert-butyl-5-methyl-4H-diazepine, 5-methyl-3,7-ditert-butyl-4H-diazepine, 4H-1,2-Diazepine, 3,7-bis(1,1-dimethylethyl)-5-methyl-, 3,7-di-tert-butyl-5-methyl-4H-1,2-diazepine, 4H-1,2-Diazepine,3,7-bis(1,1-dimethylethyl)-5-methyl
| Molecular Formula | C14H24N2 |
|---|---|
| Molecular Weight | 220.19 g/mol |
| LogP | 4.2256 |
| Topological Polar Surface Area | 24.72 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 220.19395 |
| Heavy Atoms | 16 |
| Complexity | 357.17703 |
Chemical Identifiers
| CAS Number | 59173-26-1 |
|---|---|
| SMILES | CC1=CC(=NN=C(C1)C(C)(C)C)C(C)(C)C |
Product Overview
4H-1,2-Diazepine, 3,7-bis(1,1-dimethylethyl)-5-methyl- (CAS 59173-26-1), with molecular formula C14H24N2 and molecular weight 220.19 g/mol. IUPAC: 3,7-ditert-butyl-5-methyl-4H-diazepine.
Chemical Property Profile of 4H-1,2-Diazepine, 3,7-bis(1,1-dimethylethyl)-5-methyl-
Property Insights of 4H-1,2-Diazepine, 3,7-bis(1,1-dimethylethyl)-5-methyl-
The XLogP value of 4.2256 indicates that 4H-1,2-Diazepine, 3,7-bis(1,1-dimethylethyl)-5-methyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 24.72 Ų, 4H-1,2-Diazepine, 3,7-bis(1,1-dimethylethyl)-5-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4H-1,2-Diazepine, 3,7-bis(1,1-dimethylethyl)-5-methyl- has 0 hydrogen bond donor(s) and 2 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 4H-1,2-Diazepine, 3,7-bis(1,1-dimethylethyl)-5-methyl-?
The CAS number of 4H-1,2-Diazepine, 3,7-bis(1,1-dimethylethyl)-5-methyl- is 59173-26-1.
What is the molecular formula of 4H-1,2-Diazepine, 3,7-bis(1,1-dimethylethyl)-5-methyl-?
The molecular formula of 4H-1,2-Diazepine, 3,7-bis(1,1-dimethylethyl)-5-methyl- is C14H24N2.
What is the molecular weight of 4H-1,2-Diazepine, 3,7-bis(1,1-dimethylethyl)-5-methyl-?
The molecular weight of 4H-1,2-Diazepine, 3,7-bis(1,1-dimethylethyl)-5-methyl- is 220.19 g/mol.
Where can I buy 4H-1,2-Diazepine, 3,7-bis(1,1-dimethylethyl)-5-methyl-?
You can request a quote for 4H-1,2-Diazepine, 3,7-bis(1,1-dimethylethyl)-5-methyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4H-1,2-Diazepine, 3,7-bis(1,1-dimethylethyl)-5-methyl-?
Yes, KEHONG BIO provides custom synthesis services for 4H-1,2-Diazepine, 3,7-bis(1,1-dimethylethyl)-5-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.