(1R,3S,5s,7s)-6,6-dimethyl-5,7-dinitro-2-(5-nitrofuran-2-yl)-1,3-diazaadamantane
TL;DR: (1R,3S,5s,7s)-6,6-dimethyl-5,7-dinitro-2-(5-nitrofuran-2-yl)-1,3-diazaadamantane (CAS 488090-32-0) is a chemical compound with molecular formula C14H17N5O7 and molecular weight 367.11 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-(5-nitrofuran-2-yl)-1,3-diazatricyclo[3.3.1.13,7]decane
Also Known As: (1R,3S,5s,7s)-6,6-dimethyl-5,7-dinitro-2-(5-nitrofuran-2-yl)-1,3-diazaadamantane, 6,6-dimethyl-5,7-dinitro-2-(5-nitrofuran-2-yl)-1,3-diazatricyclo[3.3.1.1~3,7~]decane
| Molecular Formula | C14H17N5O7 |
|---|---|
| Molecular Weight | 367.11 g/mol |
| LogP | 0.8884 |
| Topological Polar Surface Area | 149.04 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 4 |
| Exact Mass | 367.1128 |
| Heavy Atoms | 26 |
| Complexity | 781.4069 |
Chemical Identifiers
| CAS Number | 488090-32-0 |
|---|---|
| SMILES | CC1(C2(CN3CC1(CN(C2)C3C4=CC=C(O4)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])C |
Product Overview
(1R,3S,5s,7s)-6,6-dimethyl-5,7-dinitro-2-(5-nitrofuran-2-yl)-1,3-diazaadamantane (CAS 488090-32-0), with molecular formula C14H17N5O7 and molecular weight 367.11 g/mol. IUPAC: 6,6-dimethyl-5,7-dinitro-2-(5-nitrofuran-2-yl)-1,3-diazatricyclo[3.3.1.13,7]decane.
Chemical Property Profile of (1R,3S,5s,7s)-6,6-dimethyl-5,7-dinitro-2-(5-nitrofuran-2-yl)-1,3-diazaadamantane
Property Insights of (1R,3S,5s,7s)-6,6-dimethyl-5,7-dinitro-2-(5-nitrofuran-2-yl)-1,3-diazaadamantane
The XLogP value of 0.8884 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (1R,3S,5s,7s)-6,6-dimethyl-5,7-dinitro-2-(5-nitrofuran-2-yl)-1,3-diazaadamantane. The TPSA of 149.04 Ų indicates high polarity, suggesting (1R,3S,5s,7s)-6,6-dimethyl-5,7-dinitro-2-(5-nitrofuran-2-yl)-1,3-diazaadamantane may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (1R,3S,5s,7s)-6,6-dimethyl-5,7-dinitro-2-(5-nitrofuran-2-yl)-1,3-diazaadamantane has 0 hydrogen bond donor(s) and 9 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 (1R,3S,5s,7s)-6,6-dimethyl-5,7-dinitro-2-(5-nitrofuran-2-yl)-1,3-diazaadamantane?
The CAS number of (1R,3S,5s,7s)-6,6-dimethyl-5,7-dinitro-2-(5-nitrofuran-2-yl)-1,3-diazaadamantane is 488090-32-0.
What is the molecular formula of (1R,3S,5s,7s)-6,6-dimethyl-5,7-dinitro-2-(5-nitrofuran-2-yl)-1,3-diazaadamantane?
The molecular formula of (1R,3S,5s,7s)-6,6-dimethyl-5,7-dinitro-2-(5-nitrofuran-2-yl)-1,3-diazaadamantane is C14H17N5O7.
What is the molecular weight of (1R,3S,5s,7s)-6,6-dimethyl-5,7-dinitro-2-(5-nitrofuran-2-yl)-1,3-diazaadamantane?
The molecular weight of (1R,3S,5s,7s)-6,6-dimethyl-5,7-dinitro-2-(5-nitrofuran-2-yl)-1,3-diazaadamantane is 367.11 g/mol.
Where can I buy (1R,3S,5s,7s)-6,6-dimethyl-5,7-dinitro-2-(5-nitrofuran-2-yl)-1,3-diazaadamantane?
You can request a quote for (1R,3S,5s,7s)-6,6-dimethyl-5,7-dinitro-2-(5-nitrofuran-2-yl)-1,3-diazaadamantane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1R,3S,5s,7s)-6,6-dimethyl-5,7-dinitro-2-(5-nitrofuran-2-yl)-1,3-diazaadamantane?
Yes, KEHONG BIO provides custom synthesis services for (1R,3S,5s,7s)-6,6-dimethyl-5,7-dinitro-2-(5-nitrofuran-2-yl)-1,3-diazaadamantane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.