2,3-Diazabicyclo(2.2.1)heptane, 2-(1,1-dimethylethyl)-3-methyl-
TL;DR: 2,3-Diazabicyclo(2.2.1)heptane, 2-(1,1-dimethylethyl)-3-methyl- (CAS 42842-99-9) is a chemical compound with molecular formula C10H20N2 and molecular weight 168.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-tert-butyl-3-methyl-2,3-diazabicyclo[2.2.1]heptane
Also Known As: 2,3-Diazabicyclo(2.2.1)heptane, 2-(1,1-dimethylethyl)-3-methyl-, 2-tert-Butyl-3-methyl-2,3-diazabicyclo[2.2.1]heptane, 3-tert-butyl-2-methyl-2,3-diazabicyclo[2.2.1]heptane, 2,3-Diazabicyclo[2.2.1]heptane,2-(1,1-dimethylethyl)-3-methyl-, RefChem:244436
| Molecular Formula | C10H20N2 |
|---|---|
| Molecular Weight | 168.16 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 6.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 168.16264 |
| Heavy Atoms | 12 |
| Complexity | 183.0 |
Chemical Identifiers
| CAS Number | 42842-99-9 |
|---|---|
| SMILES | CC(C)(C)N1C2CCC(C2)N1C |
| InChIKey | IQOXQYGENVJTPV-UHFFFAOYSA-N |
Product Overview
2,3-Diazabicyclo(2.2.1)heptane, 2-(1,1-dimethylethyl)-3-methyl- (CAS 42842-99-9), with molecular formula C10H20N2 and molecular weight 168.16 g/mol. IUPAC: 2-tert-butyl-3-methyl-2,3-diazabicyclo[2.2.1]heptane.
Chemical Property Profile of 2,3-Diazabicyclo(2.2.1)heptane, 2-(1,1-dimethylethyl)-3-methyl-
Property Insights of 2,3-Diazabicyclo(2.2.1)heptane, 2-(1,1-dimethylethyl)-3-methyl-
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,3-Diazabicyclo(2.2.1)heptane, 2-(1,1-dimethylethyl)-3-methyl-. With a topological polar surface area (TPSA) of 6.5 Ų, 2,3-Diazabicyclo(2.2.1)heptane, 2-(1,1-dimethylethyl)-3-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,3-Diazabicyclo(2.2.1)heptane, 2-(1,1-dimethylethyl)-3-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 2,3-Diazabicyclo(2.2.1)heptane, 2-(1,1-dimethylethyl)-3-methyl-?
The CAS number of 2,3-Diazabicyclo(2.2.1)heptane, 2-(1,1-dimethylethyl)-3-methyl- is 42842-99-9.
What is the molecular formula of 2,3-Diazabicyclo(2.2.1)heptane, 2-(1,1-dimethylethyl)-3-methyl-?
The molecular formula of 2,3-Diazabicyclo(2.2.1)heptane, 2-(1,1-dimethylethyl)-3-methyl- is C10H20N2.
What is the molecular weight of 2,3-Diazabicyclo(2.2.1)heptane, 2-(1,1-dimethylethyl)-3-methyl-?
The molecular weight of 2,3-Diazabicyclo(2.2.1)heptane, 2-(1,1-dimethylethyl)-3-methyl- is 168.16 g/mol.
Where can I buy 2,3-Diazabicyclo(2.2.1)heptane, 2-(1,1-dimethylethyl)-3-methyl-?
You can request a quote for 2,3-Diazabicyclo(2.2.1)heptane, 2-(1,1-dimethylethyl)-3-methyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3-Diazabicyclo(2.2.1)heptane, 2-(1,1-dimethylethyl)-3-methyl-?
Yes, KEHONG BIO provides custom synthesis services for 2,3-Diazabicyclo(2.2.1)heptane, 2-(1,1-dimethylethyl)-3-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.