![5,7-Dimethyl-2-(4-nitrophenyl)-1,3-diazatricyclo[3.3.1.1~3,7~]decane structure](/static/products/3029/302903-67-9.webp)
5,7-Dimethyl-2-(4-nitrophenyl)-1,3-diazatricyclo[3.3.1.1~3,7~]decane
TL;DR: 5,7-Dimethyl-2-(4-nitrophenyl)-1,3-diazatricyclo[3.3.1.1~3,7~]decane (CAS 302903-67-9) is a chemical compound with molecular formula C16H21N3O2 and molecular weight 287.16 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]decane
Also Known As: BAS 02788398, 5,7-dimethyl-2-(4-nitrophenyl)-1,3-diazaadamantane, 5,7-dimethyl-2-(4-nitrophenyl)-1,3-diazatricyclo[3.3.1.1~3,7~]decane, (1r,3r,5r,7r)-5,7-dimethyl-2-(4-nitrophenyl)-1,3-diazaadamantane, 5,7-dimethyl-2-(4-nitrophenyl)-1,3-diazatricyclo[3.3.1.1<3,7>]decane
| Molecular Formula | C16H21N3O2 |
|---|---|
| Molecular Weight | 287.16 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 52.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 287.1634 |
| Heavy Atoms | 21 |
| Complexity | 417.0 |
Chemical Identifiers
| CAS Number | 302903-67-9 |
|---|---|
| SMILES | CC12CC3(CN(C1)C(N(C2)C3)C4=CC=C(C=C4)[N+](=O)[O-])C |
| InChIKey | BVAFBKHDFPXPSL-UHFFFAOYSA-N |
Product Overview
5,7-Dimethyl-2-(4-nitrophenyl)-1,3-diazatricyclo[3.3.1.1~3,7~]decane (CAS 302903-67-9), with molecular formula C16H21N3O2 and molecular weight 287.16 g/mol. IUPAC: 5,7-dimethyl-2-(4-nitrophenyl)-1,3-diazatricyclo[3.3.1.13,7]decane.
Chemical Property Profile of 5,7-Dimethyl-2-(4-nitrophenyl)-1,3-diazatricyclo[3.3.1.1~3,7~]decane
Property Insights of 5,7-Dimethyl-2-(4-nitrophenyl)-1,3-diazatricyclo[3.3.1.1~3,7~]decane
The XLogP value of 2.7 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~]decane. With a topological polar surface area (TPSA) of 52.3 Ų, 5,7-Dimethyl-2-(4-nitrophenyl)-1,3-diazatricyclo[3.3.1.1~3,7~]decane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5,7-Dimethyl-2-(4-nitrophenyl)-1,3-diazatricyclo[3.3.1.1~3,7~]decane has 0 hydrogen bond donor(s) and 4 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~]decane?
The CAS number of 5,7-Dimethyl-2-(4-nitrophenyl)-1,3-diazatricyclo[3.3.1.1~3,7~]decane is 302903-67-9.
What is the molecular formula of 5,7-Dimethyl-2-(4-nitrophenyl)-1,3-diazatricyclo[3.3.1.1~3,7~]decane?
The molecular formula of 5,7-Dimethyl-2-(4-nitrophenyl)-1,3-diazatricyclo[3.3.1.1~3,7~]decane is C16H21N3O2.
What is the molecular weight of 5,7-Dimethyl-2-(4-nitrophenyl)-1,3-diazatricyclo[3.3.1.1~3,7~]decane?
The molecular weight of 5,7-Dimethyl-2-(4-nitrophenyl)-1,3-diazatricyclo[3.3.1.1~3,7~]decane is 287.16 g/mol.
Where can I buy 5,7-Dimethyl-2-(4-nitrophenyl)-1,3-diazatricyclo[3.3.1.1~3,7~]decane?
You can request a quote for 5,7-Dimethyl-2-(4-nitrophenyl)-1,3-diazatricyclo[3.3.1.1~3,7~]decane 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~]decane?
Yes, KEHONG BIO provides custom synthesis services for 5,7-Dimethyl-2-(4-nitrophenyl)-1,3-diazatricyclo[3.3.1.1~3,7~]decane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.