![3,7-Bis(2-chloroacetyl)-1,5-dimethyl-3,7-diazabicyclo[3.3.1]nonan-9-one structure](/static/products/488/488129-42-6.png)
3,7-Bis(2-chloroacetyl)-1,5-dimethyl-3,7-diazabicyclo[3.3.1]nonan-9-one
TL;DR: 3,7-Bis(2-chloroacetyl)-1,5-dimethyl-3,7-diazabicyclo[3.3.1]nonan-9-one (CAS 488129-42-6) is a chemical compound with molecular formula C13H18Cl2N2O3 and molecular weight 320.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,7-bis(2-chloroacetyl)-1,5-dimethyl-3,7-diazabicyclo[3.3.1]nonan-9-one
Also Known As: 3,7-bis(2-chloroacetyl)-1,5-dimethyl-3,7-diazabicyclo[3.3.1]nonan-9-one, 3,7-bis(chloroacetyl)-1,5-dimethyl-3,7-diazabicyclo[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-chloroethanone)
| Molecular Formula | C13H18Cl2N2O3 |
|---|---|
| Molecular Weight | 320.07 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 57.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 320.06946 |
| Heavy Atoms | 20 |
| Complexity | 415.0 |
Chemical Identifiers
| CAS Number | 488129-42-6 |
|---|---|
| SMILES | CC12CN(CC(C1=O)(CN(C2)C(=O)CCl)C)C(=O)CCl |
| InChIKey | BALLHOLNOJOVSH-UHFFFAOYSA-N |
Product Overview
3,7-Bis(2-chloroacetyl)-1,5-dimethyl-3,7-diazabicyclo[3.3.1]nonan-9-one (CAS 488129-42-6), with molecular formula C13H18Cl2N2O3 and molecular weight 320.07 g/mol. IUPAC: 3,7-bis(2-chloroacetyl)-1,5-dimethyl-3,7-diazabicyclo[3.3.1]nonan-9-one.
Chemical Property Profile of 3,7-Bis(2-chloroacetyl)-1,5-dimethyl-3,7-diazabicyclo[3.3.1]nonan-9-one
Property Insights of 3,7-Bis(2-chloroacetyl)-1,5-dimethyl-3,7-diazabicyclo[3.3.1]nonan-9-one
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,7-Bis(2-chloroacetyl)-1,5-dimethyl-3,7-diazabicyclo[3.3.1]nonan-9-one. With a topological polar surface area (TPSA) of 57.7 Ų, 3,7-Bis(2-chloroacetyl)-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-chloroacetyl)-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-chloroacetyl)-1,5-dimethyl-3,7-diazabicyclo[3.3.1]nonan-9-one?
The CAS number of 3,7-Bis(2-chloroacetyl)-1,5-dimethyl-3,7-diazabicyclo[3.3.1]nonan-9-one is 488129-42-6.
What is the molecular formula of 3,7-Bis(2-chloroacetyl)-1,5-dimethyl-3,7-diazabicyclo[3.3.1]nonan-9-one?
The molecular formula of 3,7-Bis(2-chloroacetyl)-1,5-dimethyl-3,7-diazabicyclo[3.3.1]nonan-9-one is C13H18Cl2N2O3.
What is the molecular weight of 3,7-Bis(2-chloroacetyl)-1,5-dimethyl-3,7-diazabicyclo[3.3.1]nonan-9-one?
The molecular weight of 3,7-Bis(2-chloroacetyl)-1,5-dimethyl-3,7-diazabicyclo[3.3.1]nonan-9-one is 320.07 g/mol.
Where can I buy 3,7-Bis(2-chloroacetyl)-1,5-dimethyl-3,7-diazabicyclo[3.3.1]nonan-9-one?
You can request a quote for 3,7-Bis(2-chloroacetyl)-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-chloroacetyl)-1,5-dimethyl-3,7-diazabicyclo[3.3.1]nonan-9-one?
Yes, KEHONG BIO provides custom synthesis services for 3,7-Bis(2-chloroacetyl)-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.