![5-Methyl-2-(4-nitrophenyl)-7-propyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one structure](/static/products/956/956806-22-7.png)
5-Methyl-2-(4-nitrophenyl)-7-propyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one
TL;DR: 5-Methyl-2-(4-nitrophenyl)-7-propyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one (CAS 956806-22-7) is a chemical compound with molecular formula C18H23N3O3 and molecular weight 329.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methyl-2-(4-nitrophenyl)-7-propyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one
Also Known As: A3276/0139347, 5-methyl-2-(4-nitrophenyl)-7-propyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one, (1R,2r,3S,5s,7r)-5-methyl-2-(4-nitrophenyl)-7-propyl-1,3-diazaadamantan-6-one
| Molecular Formula | C18H23N3O3 |
|---|---|
| Molecular Weight | 329.17 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 69.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 329.17395 |
| Heavy Atoms | 24 |
| Complexity | 534.0 |
Chemical Identifiers
| CAS Number | 956806-22-7 |
|---|---|
| SMILES | CCCC12CN3CC(C1=O)(CN(C2)C3C4=CC=C(C=C4)[N+](=O)[O-])C |
| InChIKey | WBXRBXNTXHJOPE-UHFFFAOYSA-N |
Product Overview
5-Methyl-2-(4-nitrophenyl)-7-propyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one (CAS 956806-22-7), with molecular formula C18H23N3O3 and molecular weight 329.17 g/mol. IUPAC: 5-methyl-2-(4-nitrophenyl)-7-propyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one.
Chemical Property Profile of 5-Methyl-2-(4-nitrophenyl)-7-propyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one
Property Insights of 5-Methyl-2-(4-nitrophenyl)-7-propyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Methyl-2-(4-nitrophenyl)-7-propyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one. The TPSA of 69.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Methyl-2-(4-nitrophenyl)-7-propyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one. Following Lipinski's Rule of Five, 5-Methyl-2-(4-nitrophenyl)-7-propyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one 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 5-Methyl-2-(4-nitrophenyl)-7-propyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one?
The CAS number of 5-Methyl-2-(4-nitrophenyl)-7-propyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one is 956806-22-7.
What is the molecular formula of 5-Methyl-2-(4-nitrophenyl)-7-propyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one?
The molecular formula of 5-Methyl-2-(4-nitrophenyl)-7-propyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one is C18H23N3O3.
What is the molecular weight of 5-Methyl-2-(4-nitrophenyl)-7-propyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one?
The molecular weight of 5-Methyl-2-(4-nitrophenyl)-7-propyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one is 329.17 g/mol.
Where can I buy 5-Methyl-2-(4-nitrophenyl)-7-propyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one?
You can request a quote for 5-Methyl-2-(4-nitrophenyl)-7-propyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Methyl-2-(4-nitrophenyl)-7-propyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one?
Yes, KEHONG BIO provides custom synthesis services for 5-Methyl-2-(4-nitrophenyl)-7-propyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.