3,8-Diazabicyclo(3.2.1)octane, 8-butyryl-3-(2-methyl-2-butenyl)-
TL;DR: 3,8-Diazabicyclo(3.2.1)octane, 8-butyryl-3-(2-methyl-2-butenyl)- (CAS 101607-39-0) is a chemical compound with molecular formula C15H26N2O and molecular weight 250.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[3-[(E)-2-methylbut-2-enyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]butanal
Also Known As: 8-Butyryl-3-(2-methyl-2-butenyl)-3,8-diazabicyclo(3.2.1)octane, 3,8-DIAZABICYCLO(3.2.1)OCTANE, 8-BUTYRYL-3-(2-METHYL-2-BUTENYL)-, 4-[3-[(E)-2-methylbut-2-enyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]butanal, 1-[3-(2-methylbut-2-enyl)-3,8-diazabicyclo[3.2.1]octan-8-yl]butan-1-one, 1-Butanone,1-[3-(2-methyl-2-buten-1-yl)-3,8-diazabicyclo[3.2.1]oct-8-yl]
| Molecular Formula | C15H26N2O |
|---|---|
| Molecular Weight | 250.20 g/mol |
| LogP | 2.0803 |
| Topological Polar Surface Area | 23.55 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 250.20451 |
| Heavy Atoms | 18 |
| Complexity | 299.61545 |
Chemical Identifiers
| CAS Number | 101607-39-0 |
|---|---|
| SMILES | C/C=C(\C)/CN1CC2CCC(C1)N2CCCC=O |
Product Overview
3,8-Diazabicyclo(3.2.1)octane, 8-butyryl-3-(2-methyl-2-butenyl)- (CAS 101607-39-0), with molecular formula C15H26N2O and molecular weight 250.20 g/mol. IUPAC: 4-[3-[(E)-2-methylbut-2-enyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]butanal.
Chemical Property Profile of 3,8-Diazabicyclo(3.2.1)octane, 8-butyryl-3-(2-methyl-2-butenyl)-
Property Insights of 3,8-Diazabicyclo(3.2.1)octane, 8-butyryl-3-(2-methyl-2-butenyl)-
The XLogP value of 2.0803 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,8-Diazabicyclo(3.2.1)octane, 8-butyryl-3-(2-methyl-2-butenyl)-. With a topological polar surface area (TPSA) of 23.55 Ų, 3,8-Diazabicyclo(3.2.1)octane, 8-butyryl-3-(2-methyl-2-butenyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,8-Diazabicyclo(3.2.1)octane, 8-butyryl-3-(2-methyl-2-butenyl)- 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 3,8-Diazabicyclo(3.2.1)octane, 8-butyryl-3-(2-methyl-2-butenyl)-?
The CAS number of 3,8-Diazabicyclo(3.2.1)octane, 8-butyryl-3-(2-methyl-2-butenyl)- is 101607-39-0.
What is the molecular formula of 3,8-Diazabicyclo(3.2.1)octane, 8-butyryl-3-(2-methyl-2-butenyl)-?
The molecular formula of 3,8-Diazabicyclo(3.2.1)octane, 8-butyryl-3-(2-methyl-2-butenyl)- is C15H26N2O.
What is the molecular weight of 3,8-Diazabicyclo(3.2.1)octane, 8-butyryl-3-(2-methyl-2-butenyl)-?
The molecular weight of 3,8-Diazabicyclo(3.2.1)octane, 8-butyryl-3-(2-methyl-2-butenyl)- is 250.20 g/mol.
Where can I buy 3,8-Diazabicyclo(3.2.1)octane, 8-butyryl-3-(2-methyl-2-butenyl)-?
You can request a quote for 3,8-Diazabicyclo(3.2.1)octane, 8-butyryl-3-(2-methyl-2-butenyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,8-Diazabicyclo(3.2.1)octane, 8-butyryl-3-(2-methyl-2-butenyl)-?
Yes, KEHONG BIO provides custom synthesis services for 3,8-Diazabicyclo(3.2.1)octane, 8-butyryl-3-(2-methyl-2-butenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.