1,3-Diazaadamantane, 6,6-dimethyl-5,7-dinitro-2-phenyl-
TL;DR: 1,3-Diazaadamantane, 6,6-dimethyl-5,7-dinitro-2-phenyl- (CAS 371782-06-8) is a chemical compound with molecular formula C16H20N4O4 and molecular weight 332.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6,6-dimethyl-5,7-dinitro-2-phenyl-1,3-diazatricyclo[3.3.1.13,7]decane
Also Known As: BAS 02226491, 1,3-Diazaadamantane, 6,6-dimethyl-5,7-dinitro-2-phenyl-, 6,6-Dimethyl-5,7-dinitro-2-phenyl-1,3-diaza-tricyclo[3.3.1.1*3,7*]decane, (1R,3S,5s,7s)-6,6-dimethyl-5,7-dinitro-2-phenyl-1,3-diazaadamantane, 6,6-dimethyl-5,7-dinitro-2-phenyl-1,3-diazatricyclo[3.3.1.1<3,7>]decane
| Molecular Formula | C16H20N4O4 |
|---|---|
| Molecular Weight | 332.15 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 98.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 332.14847 |
| Heavy Atoms | 24 |
| Complexity | 524.0 |
Chemical Identifiers
| CAS Number | 371782-06-8 |
|---|---|
| SMILES | CC1(C2(CN3CC1(CN(C2)C3C4=CC=CC=C4)[N+](=O)[O-])[N+](=O)[O-])C |
| InChIKey | CQCUASFADUSHQL-UHFFFAOYSA-N |
Product Overview
1,3-Diazaadamantane, 6,6-dimethyl-5,7-dinitro-2-phenyl- (CAS 371782-06-8), with molecular formula C16H20N4O4 and molecular weight 332.15 g/mol. IUPAC: 6,6-dimethyl-5,7-dinitro-2-phenyl-1,3-diazatricyclo[3.3.1.13,7]decane.
Chemical Property Profile of 1,3-Diazaadamantane, 6,6-dimethyl-5,7-dinitro-2-phenyl-
Property Insights of 1,3-Diazaadamantane, 6,6-dimethyl-5,7-dinitro-2-phenyl-
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Diazaadamantane, 6,6-dimethyl-5,7-dinitro-2-phenyl-. The TPSA of 98.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Diazaadamantane, 6,6-dimethyl-5,7-dinitro-2-phenyl-. Following Lipinski's Rule of Five, 1,3-Diazaadamantane, 6,6-dimethyl-5,7-dinitro-2-phenyl- 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-Diazaadamantane, 6,6-dimethyl-5,7-dinitro-2-phenyl-?
The CAS number of 1,3-Diazaadamantane, 6,6-dimethyl-5,7-dinitro-2-phenyl- is 371782-06-8.
What is the molecular formula of 1,3-Diazaadamantane, 6,6-dimethyl-5,7-dinitro-2-phenyl-?
The molecular formula of 1,3-Diazaadamantane, 6,6-dimethyl-5,7-dinitro-2-phenyl- is C16H20N4O4.
What is the molecular weight of 1,3-Diazaadamantane, 6,6-dimethyl-5,7-dinitro-2-phenyl-?
The molecular weight of 1,3-Diazaadamantane, 6,6-dimethyl-5,7-dinitro-2-phenyl- is 332.15 g/mol.
Where can I buy 1,3-Diazaadamantane, 6,6-dimethyl-5,7-dinitro-2-phenyl-?
You can request a quote for 1,3-Diazaadamantane, 6,6-dimethyl-5,7-dinitro-2-phenyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Diazaadamantane, 6,6-dimethyl-5,7-dinitro-2-phenyl-?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Diazaadamantane, 6,6-dimethyl-5,7-dinitro-2-phenyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.