(5R,6S)-6-(2,3-dimethoxyphenyl)-5-nitropiperidin-2-one
TL;DR: (5R,6S)-6-(2,3-dimethoxyphenyl)-5-nitropiperidin-2-one (CAS 61298-30-4) is a chemical compound with molecular formula C13H16N2O5 and molecular weight 280.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5R,6S)-6-(2,3-dimethoxyphenyl)-5-nitropiperidin-2-one
Also Known As: (5R,6S)-6-(2,3-dimethoxyphenyl)-5-nitropiperidin-2-one, trans-6(2,3-Dimethoxyphenyl)-5-nitro-2-oxopiperidin, 2-Piperidinone, 6-(2,3-dimethoxyphenyl)-5-nitro-, trans-
| Molecular Formula | C13H16N2O5 |
|---|---|
| Molecular Weight | 280.11 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 93.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 280.10593 |
| Heavy Atoms | 20 |
| Complexity | 370.0 |
Chemical Identifiers
| CAS Number | 61298-30-4 |
|---|---|
| SMILES | COC1=CC=CC(=C1OC)[C@H]2[C@@H](CCC(=O)N2)[N+](=O)[O-] |
| InChIKey | UBUCSYPYCYYISP-SKDRFNHKSA-N |
Product Overview
(5R,6S)-6-(2,3-dimethoxyphenyl)-5-nitropiperidin-2-one (CAS 61298-30-4), with molecular formula C13H16N2O5 and molecular weight 280.11 g/mol. IUPAC: (5R,6S)-6-(2,3-dimethoxyphenyl)-5-nitropiperidin-2-one.
Chemical Property Profile of (5R,6S)-6-(2,3-dimethoxyphenyl)-5-nitropiperidin-2-one
Property Insights of (5R,6S)-6-(2,3-dimethoxyphenyl)-5-nitropiperidin-2-one
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (5R,6S)-6-(2,3-dimethoxyphenyl)-5-nitropiperidin-2-one. The TPSA of 93.4 Ų falls within the moderate polarity range, balancing permeability and solubility for (5R,6S)-6-(2,3-dimethoxyphenyl)-5-nitropiperidin-2-one. Following Lipinski's Rule of Five, (5R,6S)-6-(2,3-dimethoxyphenyl)-5-nitropiperidin-2-one 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 (5R,6S)-6-(2,3-dimethoxyphenyl)-5-nitropiperidin-2-one?
The CAS number of (5R,6S)-6-(2,3-dimethoxyphenyl)-5-nitropiperidin-2-one is 61298-30-4.
What is the molecular formula of (5R,6S)-6-(2,3-dimethoxyphenyl)-5-nitropiperidin-2-one?
The molecular formula of (5R,6S)-6-(2,3-dimethoxyphenyl)-5-nitropiperidin-2-one is C13H16N2O5.
What is the molecular weight of (5R,6S)-6-(2,3-dimethoxyphenyl)-5-nitropiperidin-2-one?
The molecular weight of (5R,6S)-6-(2,3-dimethoxyphenyl)-5-nitropiperidin-2-one is 280.11 g/mol.
Where can I buy (5R,6S)-6-(2,3-dimethoxyphenyl)-5-nitropiperidin-2-one?
You can request a quote for (5R,6S)-6-(2,3-dimethoxyphenyl)-5-nitropiperidin-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (5R,6S)-6-(2,3-dimethoxyphenyl)-5-nitropiperidin-2-one?
Yes, KEHONG BIO provides custom synthesis services for (5R,6S)-6-(2,3-dimethoxyphenyl)-5-nitropiperidin-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.