![1,7,7-trimethyl-N-(3-nitrophenyl)-2-oxo-3-oxabicyclo[2.2.1]heptane-4-carboxamide structure](/static/products/6136/613658-93-8.webp)
1,7,7-trimethyl-N-(3-nitrophenyl)-2-oxo-3-oxabicyclo[2.2.1]heptane-4-carboxamide
TL;DR: 1,7,7-trimethyl-N-(3-nitrophenyl)-2-oxo-3-oxabicyclo[2.2.1]heptane-4-carboxamide (CAS 613658-93-8) is a chemical compound with molecular formula C16H18N2O5 and molecular weight 318.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,7,7-trimethyl-N-(3-nitrophenyl)-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxamide
Also Known As: 1,7,7-trimethyl-N-(3-nitrophenyl)-2-oxo-3-oxabicyclo[2.2.1]heptane-4-carboxamide, 4,7,7-trimethyl-N-(3-nitrophenyl)-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxamide, N-(3-nitrophenyl)(4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptyl)carboxamide, (1S,4S)-4,7,7-TRIMETHYL-N-(3-NITROPHENYL)-3-OXO-2-OXABICYCLO[2.2.1]HEPTANE-1-CARBOXAMIDE
| Molecular Formula | C16H18N2O5 |
|---|---|
| Molecular Weight | 318.12 g/mol |
| LogP | 2.6552 |
| Topological Polar Surface Area | 98.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 318.12158 |
| Heavy Atoms | 23 |
| Complexity | 728.9357 |
Chemical Identifiers
| CAS Number | 613658-93-8 |
|---|---|
| SMILES | CC1(C2(CCC1(OC2=O)C(=O)NC3=CC(=CC=C3)[N+](=O)[O-])C)C |
Product Overview
1,7,7-trimethyl-N-(3-nitrophenyl)-2-oxo-3-oxabicyclo[2.2.1]heptane-4-carboxamide (CAS 613658-93-8), with molecular formula C16H18N2O5 and molecular weight 318.12 g/mol. IUPAC: 4,7,7-trimethyl-N-(3-nitrophenyl)-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxamide.
Chemical Property Profile of 1,7,7-trimethyl-N-(3-nitrophenyl)-2-oxo-3-oxabicyclo[2.2.1]heptane-4-carboxamide
Property Insights of 1,7,7-trimethyl-N-(3-nitrophenyl)-2-oxo-3-oxabicyclo[2.2.1]heptane-4-carboxamide
The XLogP value of 2.6552 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,7,7-trimethyl-N-(3-nitrophenyl)-2-oxo-3-oxabicyclo[2.2.1]heptane-4-carboxamide. The TPSA of 98.54 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,7,7-trimethyl-N-(3-nitrophenyl)-2-oxo-3-oxabicyclo[2.2.1]heptane-4-carboxamide. Following Lipinski's Rule of Five, 1,7,7-trimethyl-N-(3-nitrophenyl)-2-oxo-3-oxabicyclo[2.2.1]heptane-4-carboxamide has 1 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 1,7,7-trimethyl-N-(3-nitrophenyl)-2-oxo-3-oxabicyclo[2.2.1]heptane-4-carboxamide?
The CAS number of 1,7,7-trimethyl-N-(3-nitrophenyl)-2-oxo-3-oxabicyclo[2.2.1]heptane-4-carboxamide is 613658-93-8.
What is the molecular formula of 1,7,7-trimethyl-N-(3-nitrophenyl)-2-oxo-3-oxabicyclo[2.2.1]heptane-4-carboxamide?
The molecular formula of 1,7,7-trimethyl-N-(3-nitrophenyl)-2-oxo-3-oxabicyclo[2.2.1]heptane-4-carboxamide is C16H18N2O5.
What is the molecular weight of 1,7,7-trimethyl-N-(3-nitrophenyl)-2-oxo-3-oxabicyclo[2.2.1]heptane-4-carboxamide?
The molecular weight of 1,7,7-trimethyl-N-(3-nitrophenyl)-2-oxo-3-oxabicyclo[2.2.1]heptane-4-carboxamide is 318.12 g/mol.
Where can I buy 1,7,7-trimethyl-N-(3-nitrophenyl)-2-oxo-3-oxabicyclo[2.2.1]heptane-4-carboxamide?
You can request a quote for 1,7,7-trimethyl-N-(3-nitrophenyl)-2-oxo-3-oxabicyclo[2.2.1]heptane-4-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,7,7-trimethyl-N-(3-nitrophenyl)-2-oxo-3-oxabicyclo[2.2.1]heptane-4-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 1,7,7-trimethyl-N-(3-nitrophenyl)-2-oxo-3-oxabicyclo[2.2.1]heptane-4-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.