![(4-Nitrophenyl)(5,7,7-trimethyl-6-oxa-3-azatricyclo[3.2.2.0~2,4~]nonan-3-yl)methanone structure](/static/products/828/82872-93-3.png)
(4-Nitrophenyl)(5,7,7-trimethyl-6-oxa-3-azatricyclo[3.2.2.0~2,4~]nonan-3-yl)methanone
TL;DR: (4-Nitrophenyl)(5,7,7-trimethyl-6-oxa-3-azatricyclo[3.2.2.0~2,4~]nonan-3-yl)methanone (CAS 82872-93-3) is a chemical compound with molecular formula C17H20N2O4 and molecular weight 316.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-nitrophenyl)-(5,7,7-trimethyl-6-oxa-3-azatricyclo[3.2.2.02,4]nonan-3-yl)methanone
Also Known As: (4-Nitrophenyl)(5,7,7-trimethyl-6-oxa-3-azatricyclo[3.2.2.0~2,4~]nonan-3-yl)methanone, (4-Nitrophenyl)-(5,7,7-trimethyl-6-oxa-3-azatricyclo[3.2.2.02,4]nonan-3-yl)methanone
| Molecular Formula | C17H20N2O4 |
|---|---|
| Molecular Weight | 316.14 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 75.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 316.1423 |
| Heavy Atoms | 23 |
| Complexity | 549.0 |
Chemical Identifiers
| CAS Number | 82872-93-3 |
|---|---|
| SMILES | CC1(C2CCC(O1)(C3C2N3C(=O)C4=CC=C(C=C4)[N+](=O)[O-])C)C |
| InChIKey | WKHNLBMOCOAPPQ-UHFFFAOYSA-N |
Product Overview
(4-Nitrophenyl)(5,7,7-trimethyl-6-oxa-3-azatricyclo[3.2.2.0~2,4~]nonan-3-yl)methanone (CAS 82872-93-3), with molecular formula C17H20N2O4 and molecular weight 316.14 g/mol. IUPAC: (4-nitrophenyl)-(5,7,7-trimethyl-6-oxa-3-azatricyclo[3.2.2.02,4]nonan-3-yl)methanone.
Chemical Property Profile of (4-Nitrophenyl)(5,7,7-trimethyl-6-oxa-3-azatricyclo[3.2.2.0~2,4~]nonan-3-yl)methanone
Property Insights of (4-Nitrophenyl)(5,7,7-trimethyl-6-oxa-3-azatricyclo[3.2.2.0~2,4~]nonan-3-yl)methanone
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (4-Nitrophenyl)(5,7,7-trimethyl-6-oxa-3-azatricyclo[3.2.2.0~2,4~]nonan-3-yl)methanone. The TPSA of 75.1 Ų falls within the moderate polarity range, balancing permeability and solubility for (4-Nitrophenyl)(5,7,7-trimethyl-6-oxa-3-azatricyclo[3.2.2.0~2,4~]nonan-3-yl)methanone. Following Lipinski's Rule of Five, (4-Nitrophenyl)(5,7,7-trimethyl-6-oxa-3-azatricyclo[3.2.2.0~2,4~]nonan-3-yl)methanone 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 (4-Nitrophenyl)(5,7,7-trimethyl-6-oxa-3-azatricyclo[3.2.2.0~2,4~]nonan-3-yl)methanone?
The CAS number of (4-Nitrophenyl)(5,7,7-trimethyl-6-oxa-3-azatricyclo[3.2.2.0~2,4~]nonan-3-yl)methanone is 82872-93-3.
What is the molecular formula of (4-Nitrophenyl)(5,7,7-trimethyl-6-oxa-3-azatricyclo[3.2.2.0~2,4~]nonan-3-yl)methanone?
The molecular formula of (4-Nitrophenyl)(5,7,7-trimethyl-6-oxa-3-azatricyclo[3.2.2.0~2,4~]nonan-3-yl)methanone is C17H20N2O4.
What is the molecular weight of (4-Nitrophenyl)(5,7,7-trimethyl-6-oxa-3-azatricyclo[3.2.2.0~2,4~]nonan-3-yl)methanone?
The molecular weight of (4-Nitrophenyl)(5,7,7-trimethyl-6-oxa-3-azatricyclo[3.2.2.0~2,4~]nonan-3-yl)methanone is 316.14 g/mol.
Where can I buy (4-Nitrophenyl)(5,7,7-trimethyl-6-oxa-3-azatricyclo[3.2.2.0~2,4~]nonan-3-yl)methanone?
You can request a quote for (4-Nitrophenyl)(5,7,7-trimethyl-6-oxa-3-azatricyclo[3.2.2.0~2,4~]nonan-3-yl)methanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-Nitrophenyl)(5,7,7-trimethyl-6-oxa-3-azatricyclo[3.2.2.0~2,4~]nonan-3-yl)methanone?
Yes, KEHONG BIO provides custom synthesis services for (4-Nitrophenyl)(5,7,7-trimethyl-6-oxa-3-azatricyclo[3.2.2.0~2,4~]nonan-3-yl)methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.