![3,7-Bis(2-chloroethyl)-9,9-dimethyl-1,5-dinitro-3,7-diazabicyclo[3.3.1]nonane structure](/static/products/2235/223536-39-8.webp)
3,7-Bis(2-chloroethyl)-9,9-dimethyl-1,5-dinitro-3,7-diazabicyclo[3.3.1]nonane
TL;DR: 3,7-Bis(2-chloroethyl)-9,9-dimethyl-1,5-dinitro-3,7-diazabicyclo[3.3.1]nonane (CAS 223536-39-8) is a chemical compound with molecular formula C13H22Cl2N4O4 and molecular weight 368.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,7-bis(2-chloroethyl)-9,9-dimethyl-1,5-dinitro-3,7-diazabicyclo[3.3.1]nonane
Also Known As: BAS 00334647, 3,7-bis(2-chloroethyl)-9,9-dimethyl-1,5-dinitro-3,7-diazabicyclo[3.3.1]nonane, AE-848/31945034, 3,7-bis(2-chloroethyl)-1,5-bisnitro-9,9-dimethyl-3,7-diazabicyclo[3.3.1]nonane, (1S,5S)-3,7-BIS(2-CHLOROETHYL)-9,9-DIMETHYL-1,5-DINITRO-3,7-DIAZABICYCLO[3.3.1]NONANE
| Molecular Formula | C13H22Cl2N4O4 |
|---|---|
| Molecular Weight | 368.10 g/mol |
| LogP | 1.1524 |
| Topological Polar Surface Area | 92.76 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 368.1018 |
| Heavy Atoms | 23 |
| Complexity | 448.36618 |
Chemical Identifiers
| CAS Number | 223536-39-8 |
|---|---|
| SMILES | CC1(C2(CN(CC1(CN(C2)CCCl)[N+](=O)[O-])CCCl)[N+](=O)[O-])C |
Product Overview
3,7-Bis(2-chloroethyl)-9,9-dimethyl-1,5-dinitro-3,7-diazabicyclo[3.3.1]nonane (CAS 223536-39-8), with molecular formula C13H22Cl2N4O4 and molecular weight 368.10 g/mol. IUPAC: 3,7-bis(2-chloroethyl)-9,9-dimethyl-1,5-dinitro-3,7-diazabicyclo[3.3.1]nonane.
Chemical Property Profile of 3,7-Bis(2-chloroethyl)-9,9-dimethyl-1,5-dinitro-3,7-diazabicyclo[3.3.1]nonane
Property Insights of 3,7-Bis(2-chloroethyl)-9,9-dimethyl-1,5-dinitro-3,7-diazabicyclo[3.3.1]nonane
The XLogP value of 1.1524 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,7-Bis(2-chloroethyl)-9,9-dimethyl-1,5-dinitro-3,7-diazabicyclo[3.3.1]nonane. The TPSA of 92.76 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,7-Bis(2-chloroethyl)-9,9-dimethyl-1,5-dinitro-3,7-diazabicyclo[3.3.1]nonane. Following Lipinski's Rule of Five, 3,7-Bis(2-chloroethyl)-9,9-dimethyl-1,5-dinitro-3,7-diazabicyclo[3.3.1]nonane has 0 hydrogen bond donor(s) and 6 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-chloroethyl)-9,9-dimethyl-1,5-dinitro-3,7-diazabicyclo[3.3.1]nonane?
The CAS number of 3,7-Bis(2-chloroethyl)-9,9-dimethyl-1,5-dinitro-3,7-diazabicyclo[3.3.1]nonane is 223536-39-8.
What is the molecular formula of 3,7-Bis(2-chloroethyl)-9,9-dimethyl-1,5-dinitro-3,7-diazabicyclo[3.3.1]nonane?
The molecular formula of 3,7-Bis(2-chloroethyl)-9,9-dimethyl-1,5-dinitro-3,7-diazabicyclo[3.3.1]nonane is C13H22Cl2N4O4.
What is the molecular weight of 3,7-Bis(2-chloroethyl)-9,9-dimethyl-1,5-dinitro-3,7-diazabicyclo[3.3.1]nonane?
The molecular weight of 3,7-Bis(2-chloroethyl)-9,9-dimethyl-1,5-dinitro-3,7-diazabicyclo[3.3.1]nonane is 368.10 g/mol.
Where can I buy 3,7-Bis(2-chloroethyl)-9,9-dimethyl-1,5-dinitro-3,7-diazabicyclo[3.3.1]nonane?
You can request a quote for 3,7-Bis(2-chloroethyl)-9,9-dimethyl-1,5-dinitro-3,7-diazabicyclo[3.3.1]nonane 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-chloroethyl)-9,9-dimethyl-1,5-dinitro-3,7-diazabicyclo[3.3.1]nonane?
Yes, KEHONG BIO provides custom synthesis services for 3,7-Bis(2-chloroethyl)-9,9-dimethyl-1,5-dinitro-3,7-diazabicyclo[3.3.1]nonane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.