![(1r,3s,4r)-1,7,7-Trimethyl-3-nitrobicyclo[2.2.1]heptan-2-one structure](/static/products/6694/66944-58-9.webp)
(1r,3s,4r)-1,7,7-Trimethyl-3-nitrobicyclo[2.2.1]heptan-2-one
TL;DR: (1r,3s,4r)-1,7,7-Trimethyl-3-nitrobicyclo[2.2.1]heptan-2-one (CAS 66944-58-9) is a chemical compound with molecular formula C10H15NO3 and molecular weight 197.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,3S,4R)-1,7,7-trimethyl-3-nitrobicyclo[2.2.1]heptan-2-one
Also Known As: UTEN, KST-1A7361, Meglumine papaveroline 6'-sulfonate, (1r,3s,4r)-1,7,7-trimethyl-3-nitrobicyclo[2.2.1]heptan-2-one, 1,7,7-trimethyl-3-nitrobicyclo[2.2.1]heptan-2-one
| Molecular Formula | C10H15NO3 |
|---|---|
| Molecular Weight | 197.11 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 62.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 197.1052 |
| Heavy Atoms | 14 |
| Complexity | 318.0 |
Chemical Identifiers
| CAS Number | 66944-58-9 |
|---|---|
| SMILES | C[C@@]12CC[C@H](C1(C)C)[C@@H](C2=O)[N+](=O)[O-] |
| InChIKey | SYWPFFHYANKVSU-BYULHYEWSA-N |
Product Overview
(1r,3s,4r)-1,7,7-Trimethyl-3-nitrobicyclo[2.2.1]heptan-2-one (CAS 66944-58-9), with molecular formula C10H15NO3 and molecular weight 197.11 g/mol. IUPAC: (1R,3S,4R)-1,7,7-trimethyl-3-nitrobicyclo[2.2.1]heptan-2-one.
Chemical Property Profile of (1r,3s,4r)-1,7,7-Trimethyl-3-nitrobicyclo[2.2.1]heptan-2-one
Property Insights of (1r,3s,4r)-1,7,7-Trimethyl-3-nitrobicyclo[2.2.1]heptan-2-one
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (1r,3s,4r)-1,7,7-Trimethyl-3-nitrobicyclo[2.2.1]heptan-2-one. The TPSA of 62.9 Ų falls within the moderate polarity range, balancing permeability and solubility for (1r,3s,4r)-1,7,7-Trimethyl-3-nitrobicyclo[2.2.1]heptan-2-one. Following Lipinski's Rule of Five, (1r,3s,4r)-1,7,7-Trimethyl-3-nitrobicyclo[2.2.1]heptan-2-one has 0 hydrogen bond donor(s) and 3 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 (1r,3s,4r)-1,7,7-Trimethyl-3-nitrobicyclo[2.2.1]heptan-2-one?
The CAS number of (1r,3s,4r)-1,7,7-Trimethyl-3-nitrobicyclo[2.2.1]heptan-2-one is 66944-58-9.
What is the molecular formula of (1r,3s,4r)-1,7,7-Trimethyl-3-nitrobicyclo[2.2.1]heptan-2-one?
The molecular formula of (1r,3s,4r)-1,7,7-Trimethyl-3-nitrobicyclo[2.2.1]heptan-2-one is C10H15NO3.
What is the molecular weight of (1r,3s,4r)-1,7,7-Trimethyl-3-nitrobicyclo[2.2.1]heptan-2-one?
The molecular weight of (1r,3s,4r)-1,7,7-Trimethyl-3-nitrobicyclo[2.2.1]heptan-2-one is 197.11 g/mol.
Where can I buy (1r,3s,4r)-1,7,7-Trimethyl-3-nitrobicyclo[2.2.1]heptan-2-one?
You can request a quote for (1r,3s,4r)-1,7,7-Trimethyl-3-nitrobicyclo[2.2.1]heptan-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1r,3s,4r)-1,7,7-Trimethyl-3-nitrobicyclo[2.2.1]heptan-2-one?
Yes, KEHONG BIO provides custom synthesis services for (1r,3s,4r)-1,7,7-Trimethyl-3-nitrobicyclo[2.2.1]heptan-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.