![1,3-Diazatricyclo[3.3.1.1(3,7)]decane, 2-(3-bromophenyl)-6,6-dimethyl-5,7-dinitro- structure](/static/products/355/355002-27-6.png)
1,3-Diazatricyclo[3.3.1.1(3,7)]decane, 2-(3-bromophenyl)-6,6-dimethyl-5,7-dinitro-
TL;DR: 1,3-Diazatricyclo[3.3.1.1(3,7)]decane, 2-(3-bromophenyl)-6,6-dimethyl-5,7-dinitro- (CAS 355002-27-6) is a chemical compound with molecular formula C16H19BrN4O4 and molecular weight 410.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-bromophenyl)-6,6-dimethyl-5,7-dinitro-1,3-diazatricyclo[3.3.1.13,7]decane
Also Known As: 1,3-Diazatricyclo[3.3.1.1(3,7)]decane, 2-(3-bromophenyl)-6,6-dimethyl-5,7-dinitro-, 2-(3-bromophenyl)-6,6-dimethyl-5,7-dinitro-1,3-diazatricyclo[3.3.1.1~3,7~]decane, (1R,3S,5s,7s)-2-(3-bromophenyl)-6,6-dimethyl-5,7-dinitro-1,3-diazaadamantane, 2-(3-bromophenyl)-5,7-bisnitro-6,6-dimethyl-1,3-diazatricyclo[3.3.1.1~3,7~]decane
| Molecular Formula | C16H19BrN4O4 |
|---|---|
| Molecular Weight | 410.06 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 98.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 410.05896 |
| Heavy Atoms | 25 |
| Complexity | 564.0 |
Chemical Identifiers
| CAS Number | 355002-27-6 |
|---|---|
| SMILES | CC1(C2(CN3CC1(CN(C2)C3C4=CC(=CC=C4)Br)[N+](=O)[O-])[N+](=O)[O-])C |
| InChIKey | RUFKIHWOTUJKGW-UHFFFAOYSA-N |
Product Overview
1,3-Diazatricyclo[3.3.1.1(3,7)]decane, 2-(3-bromophenyl)-6,6-dimethyl-5,7-dinitro- (CAS 355002-27-6), with molecular formula C16H19BrN4O4 and molecular weight 410.06 g/mol. IUPAC: 2-(3-bromophenyl)-6,6-dimethyl-5,7-dinitro-1,3-diazatricyclo[3.3.1.13,7]decane.
Chemical Property Profile of 1,3-Diazatricyclo[3.3.1.1(3,7)]decane, 2-(3-bromophenyl)-6,6-dimethyl-5,7-dinitro-
Property Insights of 1,3-Diazatricyclo[3.3.1.1(3,7)]decane, 2-(3-bromophenyl)-6,6-dimethyl-5,7-dinitro-
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Diazatricyclo[3.3.1.1(3,7)]decane, 2-(3-bromophenyl)-6,6-dimethyl-5,7-dinitro-. The TPSA of 98.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Diazatricyclo[3.3.1.1(3,7)]decane, 2-(3-bromophenyl)-6,6-dimethyl-5,7-dinitro-. Following Lipinski's Rule of Five, 1,3-Diazatricyclo[3.3.1.1(3,7)]decane, 2-(3-bromophenyl)-6,6-dimethyl-5,7-dinitro- 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 1,3-Diazatricyclo[3.3.1.1(3,7)]decane, 2-(3-bromophenyl)-6,6-dimethyl-5,7-dinitro-?
The CAS number of 1,3-Diazatricyclo[3.3.1.1(3,7)]decane, 2-(3-bromophenyl)-6,6-dimethyl-5,7-dinitro- is 355002-27-6.
What is the molecular formula of 1,3-Diazatricyclo[3.3.1.1(3,7)]decane, 2-(3-bromophenyl)-6,6-dimethyl-5,7-dinitro-?
The molecular formula of 1,3-Diazatricyclo[3.3.1.1(3,7)]decane, 2-(3-bromophenyl)-6,6-dimethyl-5,7-dinitro- is C16H19BrN4O4.
What is the molecular weight of 1,3-Diazatricyclo[3.3.1.1(3,7)]decane, 2-(3-bromophenyl)-6,6-dimethyl-5,7-dinitro-?
The molecular weight of 1,3-Diazatricyclo[3.3.1.1(3,7)]decane, 2-(3-bromophenyl)-6,6-dimethyl-5,7-dinitro- is 410.06 g/mol.
Where can I buy 1,3-Diazatricyclo[3.3.1.1(3,7)]decane, 2-(3-bromophenyl)-6,6-dimethyl-5,7-dinitro-?
You can request a quote for 1,3-Diazatricyclo[3.3.1.1(3,7)]decane, 2-(3-bromophenyl)-6,6-dimethyl-5,7-dinitro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Diazatricyclo[3.3.1.1(3,7)]decane, 2-(3-bromophenyl)-6,6-dimethyl-5,7-dinitro-?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Diazatricyclo[3.3.1.1(3,7)]decane, 2-(3-bromophenyl)-6,6-dimethyl-5,7-dinitro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.