![5,7-Dimethyl-2-(4-nitrophenyl)-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one structure](/static/products/5749/57499-40-8.webp)
5,7-Dimethyl-2-(4-nitrophenyl)-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one
TL;DR: 5,7-Dimethyl-2-(4-nitrophenyl)-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one (CAS 57499-40-8) is a chemical compound with molecular formula C16H19N3O3 and molecular weight 301.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,7-dimethyl-2-(4-nitrophenyl)-1,3-diazatricyclo[3.3.1.13,7]decan-6-one
Also Known As: BAS 00334678, 5,7-dimethyl-2-(4-nitrophenyl)-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one, AB00094096-01, 5,7-dimethyl-2-(4-nitrophenyl)-1,3-diazatricyclo[3.3.1.13,7]decan-6-one, (1R,3S,5r,7r)-5,7-dimethyl-2-(4-nitrophenyl)-1,3-diazaadamantan-6-one
| Molecular Formula | C16H19N3O3 |
|---|---|
| Molecular Weight | 301.14 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 69.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 301.14264 |
| Heavy Atoms | 22 |
| Complexity | 481.0 |
Chemical Identifiers
| CAS Number | 57499-40-8 |
|---|---|
| SMILES | CC12CN3CC(C1=O)(CN(C2)C3C4=CC=C(C=C4)[N+](=O)[O-])C |
| InChIKey | HVIXHOGZVXKQKA-UHFFFAOYSA-N |
Product Overview
5,7-Dimethyl-2-(4-nitrophenyl)-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one (CAS 57499-40-8), with molecular formula C16H19N3O3 and molecular weight 301.14 g/mol. IUPAC: 5,7-dimethyl-2-(4-nitrophenyl)-1,3-diazatricyclo[3.3.1.13,7]decan-6-one.
Chemical Property Profile of 5,7-Dimethyl-2-(4-nitrophenyl)-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one
Property Insights of 5,7-Dimethyl-2-(4-nitrophenyl)-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5,7-Dimethyl-2-(4-nitrophenyl)-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 5,7-Dimethyl-2-(4-nitrophenyl)-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one. Following Lipinski's Rule of Five, 5,7-Dimethyl-2-(4-nitrophenyl)-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 5,7-Dimethyl-2-(4-nitrophenyl)-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one?
The CAS number of 5,7-Dimethyl-2-(4-nitrophenyl)-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one is 57499-40-8.
What is the molecular formula of 5,7-Dimethyl-2-(4-nitrophenyl)-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one?
The molecular formula of 5,7-Dimethyl-2-(4-nitrophenyl)-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one is C16H19N3O3.
What is the molecular weight of 5,7-Dimethyl-2-(4-nitrophenyl)-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one?
The molecular weight of 5,7-Dimethyl-2-(4-nitrophenyl)-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one is 301.14 g/mol.
Where can I buy 5,7-Dimethyl-2-(4-nitrophenyl)-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one?
You can request a quote for 5,7-Dimethyl-2-(4-nitrophenyl)-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 5,7-Dimethyl-2-(4-nitrophenyl)-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one?
Yes, KEHONG BIO provides custom synthesis services for 5,7-Dimethyl-2-(4-nitrophenyl)-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.