(1R,3S,5r,7s)-5-butyl-7-methyl-2-(5-nitrofuran-2-yl)-1,3-diazaadamantan-6-one
TL;DR: (1R,3S,5r,7s)-5-butyl-7-methyl-2-(5-nitrofuran-2-yl)-1,3-diazaadamantan-6-one (CAS 956042-07-2) is a chemical compound with molecular formula C17H23N3O4 and molecular weight 333.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-butyl-7-methyl-2-(5-nitrofuran-2-yl)-1,3-diazatricyclo[3.3.1.13,7]decan-6-one
Also Known As: A3864/0164119, (1R,3S,5r,7s)-5-butyl-7-methyl-2-(5-nitrofuran-2-yl)-1,3-diazaadamantan-6-one, 5-Butyl-7-methyl-2-(5-nitro-furan-2-yl)-1,3-diaza-tricyclo[3.3.1.1*3,7*]decan-6-one, 5-butyl-7-methyl-2-(5-nitrofuran-2-yl)-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one, 5-BUTYL-7-METHYL-2-(5-NITRO-2-FURYL)-1,3-DIAZATRICYCLO[3.3.1.1~3,7~]DECAN-6-ONE
| Molecular Formula | C17H23N3O4 |
|---|---|
| Molecular Weight | 333.17 g/mol |
| LogP | 2.5832 |
| Topological Polar Surface Area | 79.83 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 333.16885 |
| Heavy Atoms | 24 |
| Complexity | 681.7627 |
Chemical Identifiers
| CAS Number | 956042-07-2 |
|---|---|
| SMILES | CCCCC12CN3CC(C1=O)(CN(C2)C3C4=CC=C(O4)[N+](=O)[O-])C |
Product Overview
(1R,3S,5r,7s)-5-butyl-7-methyl-2-(5-nitrofuran-2-yl)-1,3-diazaadamantan-6-one (CAS 956042-07-2), with molecular formula C17H23N3O4 and molecular weight 333.17 g/mol. IUPAC: 5-butyl-7-methyl-2-(5-nitrofuran-2-yl)-1,3-diazatricyclo[3.3.1.13,7]decan-6-one.
Chemical Property Profile of (1R,3S,5r,7s)-5-butyl-7-methyl-2-(5-nitrofuran-2-yl)-1,3-diazaadamantan-6-one
Property Insights of (1R,3S,5r,7s)-5-butyl-7-methyl-2-(5-nitrofuran-2-yl)-1,3-diazaadamantan-6-one
The XLogP value of 2.5832 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (1R,3S,5r,7s)-5-butyl-7-methyl-2-(5-nitrofuran-2-yl)-1,3-diazaadamantan-6-one. The TPSA of 79.83 Ų falls within the moderate polarity range, balancing permeability and solubility for (1R,3S,5r,7s)-5-butyl-7-methyl-2-(5-nitrofuran-2-yl)-1,3-diazaadamantan-6-one. Following Lipinski's Rule of Five, (1R,3S,5r,7s)-5-butyl-7-methyl-2-(5-nitrofuran-2-yl)-1,3-diazaadamantan-6-one 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 (1R,3S,5r,7s)-5-butyl-7-methyl-2-(5-nitrofuran-2-yl)-1,3-diazaadamantan-6-one?
The CAS number of (1R,3S,5r,7s)-5-butyl-7-methyl-2-(5-nitrofuran-2-yl)-1,3-diazaadamantan-6-one is 956042-07-2.
What is the molecular formula of (1R,3S,5r,7s)-5-butyl-7-methyl-2-(5-nitrofuran-2-yl)-1,3-diazaadamantan-6-one?
The molecular formula of (1R,3S,5r,7s)-5-butyl-7-methyl-2-(5-nitrofuran-2-yl)-1,3-diazaadamantan-6-one is C17H23N3O4.
What is the molecular weight of (1R,3S,5r,7s)-5-butyl-7-methyl-2-(5-nitrofuran-2-yl)-1,3-diazaadamantan-6-one?
The molecular weight of (1R,3S,5r,7s)-5-butyl-7-methyl-2-(5-nitrofuran-2-yl)-1,3-diazaadamantan-6-one is 333.17 g/mol.
Where can I buy (1R,3S,5r,7s)-5-butyl-7-methyl-2-(5-nitrofuran-2-yl)-1,3-diazaadamantan-6-one?
You can request a quote for (1R,3S,5r,7s)-5-butyl-7-methyl-2-(5-nitrofuran-2-yl)-1,3-diazaadamantan-6-one 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,7s)-5-butyl-7-methyl-2-(5-nitrofuran-2-yl)-1,3-diazaadamantan-6-one?
Yes, KEHONG BIO provides custom synthesis services for (1R,3S,5r,7s)-5-butyl-7-methyl-2-(5-nitrofuran-2-yl)-1,3-diazaadamantan-6-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.