6-(4-Bromo-2,5-dimethoxyphenyl)-5-nitropiperidin-2-one
TL;DR: 6-(4-Bromo-2,5-dimethoxyphenyl)-5-nitropiperidin-2-one (CAS 6629-44-3) is a chemical compound with molecular formula C13H15BrN2O5 and molecular weight 358.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(4-bromo-2,5-dimethoxyphenyl)-5-nitropiperidin-2-one
Also Known As: 6-(4-bromo-2,5-dimethoxyphenyl)-5-nitropiperidin-2-one, A2618/0111346, 6-(4-BROMO-2,5-DIMETHOXYPHENYL)-5-NITRO-2-PIPERIDINONE, Cambridge id 6629443
| Molecular Formula | C13H15BrN2O5 |
|---|---|
| Molecular Weight | 358.02 g/mol |
| LogP | 2.0627 |
| Topological Polar Surface Area | 90.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 358.01642 |
| Heavy Atoms | 21 |
| Complexity | 577.92523 |
Chemical Identifiers
| CAS Number | 6629-44-3 |
|---|---|
| SMILES | COC1=CC(=C(C=C1C2C(CCC(=O)N2)[N+](=O)[O-])OC)Br |
Product Overview
6-(4-Bromo-2,5-dimethoxyphenyl)-5-nitropiperidin-2-one (CAS 6629-44-3), with molecular formula C13H15BrN2O5 and molecular weight 358.02 g/mol. IUPAC: 6-(4-bromo-2,5-dimethoxyphenyl)-5-nitropiperidin-2-one.
Chemical Property Profile of 6-(4-Bromo-2,5-dimethoxyphenyl)-5-nitropiperidin-2-one
Property Insights of 6-(4-Bromo-2,5-dimethoxyphenyl)-5-nitropiperidin-2-one
The XLogP value of 2.0627 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-(4-Bromo-2,5-dimethoxyphenyl)-5-nitropiperidin-2-one. The TPSA of 90.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-(4-Bromo-2,5-dimethoxyphenyl)-5-nitropiperidin-2-one. Following Lipinski's Rule of Five, 6-(4-Bromo-2,5-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 6-(4-Bromo-2,5-dimethoxyphenyl)-5-nitropiperidin-2-one?
The CAS number of 6-(4-Bromo-2,5-dimethoxyphenyl)-5-nitropiperidin-2-one is 6629-44-3.
What is the molecular formula of 6-(4-Bromo-2,5-dimethoxyphenyl)-5-nitropiperidin-2-one?
The molecular formula of 6-(4-Bromo-2,5-dimethoxyphenyl)-5-nitropiperidin-2-one is C13H15BrN2O5.
What is the molecular weight of 6-(4-Bromo-2,5-dimethoxyphenyl)-5-nitropiperidin-2-one?
The molecular weight of 6-(4-Bromo-2,5-dimethoxyphenyl)-5-nitropiperidin-2-one is 358.02 g/mol.
Where can I buy 6-(4-Bromo-2,5-dimethoxyphenyl)-5-nitropiperidin-2-one?
You can request a quote for 6-(4-Bromo-2,5-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 6-(4-Bromo-2,5-dimethoxyphenyl)-5-nitropiperidin-2-one?
Yes, KEHONG BIO provides custom synthesis services for 6-(4-Bromo-2,5-dimethoxyphenyl)-5-nitropiperidin-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.