![3,7-Bis(2-bromoacetyl)-1,5-dimethyl-3,7-diazabicyclo[3.3.1]nonan-9-one structure](/static/products/808/80808-87-3.png)
3,7-Bis(2-bromoacetyl)-1,5-dimethyl-3,7-diazabicyclo[3.3.1]nonan-9-one
TL;DR: 3,7-Bis(2-bromoacetyl)-1,5-dimethyl-3,7-diazabicyclo[3.3.1]nonan-9-one (CAS 80808-87-3) is a chemical compound with molecular formula C13H18Br2N2O3 and molecular weight 407.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,7-bis(2-bromoacetyl)-1,5-dimethyl-3,7-diazabicyclo[3.3.1]nonan-9-one
Also Known As: BAS 00334674, 3,7-bis(2-bromoacetyl)-1,5-dimethyl-3,7-diazabicyclo[3.3.1]nonan-9-one, 3,7-bis(bromoacetyl)-1,5-dimethyl-3,7-diazabicyclo[3.3.1]nonan-9-one, 3,7-Bis-(2-bromo-acetyl)-1,5-dimethyl-3,7-diaza-bicyclo[3.3.1]nonan-9-one, 1,1'-((1s,5s)-1,5-dimethyl-9-oxo-3,7-diazabicyclo[3.3.1]nonane-3,7-diyl)bis(2-bromoethanone)
| Molecular Formula | C13H18Br2N2O3 |
|---|---|
| Molecular Weight | 407.97 g/mol |
| LogP | 1.0423 |
| Topological Polar Surface Area | 57.69 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 407.9684 |
| Heavy Atoms | 20 |
| Complexity | 414.53262 |
Chemical Identifiers
| CAS Number | 80808-87-3 |
|---|---|
| SMILES | CC12CN(CC(C1=O)(CN(C2)C(=O)CBr)C)C(=O)CBr |
Product Overview
3,7-Bis(2-bromoacetyl)-1,5-dimethyl-3,7-diazabicyclo[3.3.1]nonan-9-one (CAS 80808-87-3), with molecular formula C13H18Br2N2O3 and molecular weight 407.97 g/mol. IUPAC: 3,7-bis(2-bromoacetyl)-1,5-dimethyl-3,7-diazabicyclo[3.3.1]nonan-9-one.
Chemical Property Profile of 3,7-Bis(2-bromoacetyl)-1,5-dimethyl-3,7-diazabicyclo[3.3.1]nonan-9-one
Property Insights of 3,7-Bis(2-bromoacetyl)-1,5-dimethyl-3,7-diazabicyclo[3.3.1]nonan-9-one
The XLogP value of 1.0423 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,7-Bis(2-bromoacetyl)-1,5-dimethyl-3,7-diazabicyclo[3.3.1]nonan-9-one. With a topological polar surface area (TPSA) of 57.69 Ų, 3,7-Bis(2-bromoacetyl)-1,5-dimethyl-3,7-diazabicyclo[3.3.1]nonan-9-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,7-Bis(2-bromoacetyl)-1,5-dimethyl-3,7-diazabicyclo[3.3.1]nonan-9-one 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 3,7-Bis(2-bromoacetyl)-1,5-dimethyl-3,7-diazabicyclo[3.3.1]nonan-9-one?
The CAS number of 3,7-Bis(2-bromoacetyl)-1,5-dimethyl-3,7-diazabicyclo[3.3.1]nonan-9-one is 80808-87-3.
What is the molecular formula of 3,7-Bis(2-bromoacetyl)-1,5-dimethyl-3,7-diazabicyclo[3.3.1]nonan-9-one?
The molecular formula of 3,7-Bis(2-bromoacetyl)-1,5-dimethyl-3,7-diazabicyclo[3.3.1]nonan-9-one is C13H18Br2N2O3.
What is the molecular weight of 3,7-Bis(2-bromoacetyl)-1,5-dimethyl-3,7-diazabicyclo[3.3.1]nonan-9-one?
The molecular weight of 3,7-Bis(2-bromoacetyl)-1,5-dimethyl-3,7-diazabicyclo[3.3.1]nonan-9-one is 407.97 g/mol.
Where can I buy 3,7-Bis(2-bromoacetyl)-1,5-dimethyl-3,7-diazabicyclo[3.3.1]nonan-9-one?
You can request a quote for 3,7-Bis(2-bromoacetyl)-1,5-dimethyl-3,7-diazabicyclo[3.3.1]nonan-9-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,7-Bis(2-bromoacetyl)-1,5-dimethyl-3,7-diazabicyclo[3.3.1]nonan-9-one?
Yes, KEHONG BIO provides custom synthesis services for 3,7-Bis(2-bromoacetyl)-1,5-dimethyl-3,7-diazabicyclo[3.3.1]nonan-9-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.