(1R,3S,5r,7r)-5,7-dimethyl-2-(5-nitrofuran-2-yl)-1,3-diazaadamantane
TL;DR: (1R,3S,5r,7r)-5,7-dimethyl-2-(5-nitrofuran-2-yl)-1,3-diazaadamantane (CAS 577761-19-4) is a chemical compound with molecular formula C14H19N3O3 and molecular weight 277.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,7-dimethyl-2-(5-nitrofuran-2-yl)-1,3-diazatricyclo[3.3.1.13,7]decane
Also Known As: A3654/0154958, (1R,3S,5r,7r)-5,7-dimethyl-2-(5-nitrofuran-2-yl)-1,3-diazaadamantane, 5,7-dimethyl-2-(5-nitro-2-furyl)-1,3-diazatricyclo[3.3.1.1~3,7~]decane, 5,7-Dimethyl-2-(5-nitro-furan-2-yl)-1,3-diaza-tricyclo[3.3.1.1*3,7*]decane, 5,7-dimethyl-2-(5-nitrofuran-2-yl)-1,3-diazatricyclo[3.3.1.1~3,7~]decane
| Molecular Formula | C14H19N3O3 |
|---|---|
| Molecular Weight | 277.14 g/mol |
| LogP | 2.2339 |
| Topological Polar Surface Area | 62.76 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 277.14264 |
| Heavy Atoms | 20 |
| Complexity | 545.9742 |
Chemical Identifiers
| CAS Number | 577761-19-4 |
|---|---|
| SMILES | CC12CC3(CN(C1)C(N(C2)C3)C4=CC=C(O4)[N+](=O)[O-])C |
Product Overview
(1R,3S,5r,7r)-5,7-dimethyl-2-(5-nitrofuran-2-yl)-1,3-diazaadamantane (CAS 577761-19-4), with molecular formula C14H19N3O3 and molecular weight 277.14 g/mol. IUPAC: 5,7-dimethyl-2-(5-nitrofuran-2-yl)-1,3-diazatricyclo[3.3.1.13,7]decane.
Chemical Property Profile of (1R,3S,5r,7r)-5,7-dimethyl-2-(5-nitrofuran-2-yl)-1,3-diazaadamantane
Property Insights of (1R,3S,5r,7r)-5,7-dimethyl-2-(5-nitrofuran-2-yl)-1,3-diazaadamantane
The XLogP value of 2.2339 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (1R,3S,5r,7r)-5,7-dimethyl-2-(5-nitrofuran-2-yl)-1,3-diazaadamantane. The TPSA of 62.76 Ų falls within the moderate polarity range, balancing permeability and solubility for (1R,3S,5r,7r)-5,7-dimethyl-2-(5-nitrofuran-2-yl)-1,3-diazaadamantane. Following Lipinski's Rule of Five, (1R,3S,5r,7r)-5,7-dimethyl-2-(5-nitrofuran-2-yl)-1,3-diazaadamantane has 0 hydrogen bond donor(s) and 5 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,5r,7r)-5,7-dimethyl-2-(5-nitrofuran-2-yl)-1,3-diazaadamantane?
The CAS number of (1R,3S,5r,7r)-5,7-dimethyl-2-(5-nitrofuran-2-yl)-1,3-diazaadamantane is 577761-19-4.
What is the molecular formula of (1R,3S,5r,7r)-5,7-dimethyl-2-(5-nitrofuran-2-yl)-1,3-diazaadamantane?
The molecular formula of (1R,3S,5r,7r)-5,7-dimethyl-2-(5-nitrofuran-2-yl)-1,3-diazaadamantane is C14H19N3O3.
What is the molecular weight of (1R,3S,5r,7r)-5,7-dimethyl-2-(5-nitrofuran-2-yl)-1,3-diazaadamantane?
The molecular weight of (1R,3S,5r,7r)-5,7-dimethyl-2-(5-nitrofuran-2-yl)-1,3-diazaadamantane is 277.14 g/mol.
Where can I buy (1R,3S,5r,7r)-5,7-dimethyl-2-(5-nitrofuran-2-yl)-1,3-diazaadamantane?
You can request a quote for (1R,3S,5r,7r)-5,7-dimethyl-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,5r,7r)-5,7-dimethyl-2-(5-nitrofuran-2-yl)-1,3-diazaadamantane?
Yes, KEHONG BIO provides custom synthesis services for (1R,3S,5r,7r)-5,7-dimethyl-2-(5-nitrofuran-2-yl)-1,3-diazaadamantane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.