trans-6-(4-Bromophenyl)-5-nitropiperidin-2-one
TL;DR: trans-6-(4-Bromophenyl)-5-nitropiperidin-2-one (CAS 1219633-48-3) is a chemical compound with molecular formula C11H11BrN2O3 and molecular weight 298.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5S,6R)-6-(4-bromophenyl)-5-nitropiperidin-2-one
Also Known As: trans-6-(4-bromophenyl)-5-nitropiperidin-2-one, (5S,6R)-6-(4-bromophenyl)-5-nitropiperidin-2-one, A1-13512
| Molecular Formula | C11H11BrN2O3 |
|---|---|
| Molecular Weight | 298.00 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 74.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 297.9953 |
| Heavy Atoms | 17 |
| Complexity | 310.0 |
Chemical Identifiers
| CAS Number | 1219633-48-3 |
|---|---|
| SMILES | C1CC(=O)N[C@@H]([C@H]1[N+](=O)[O-])C2=CC=C(C=C2)Br |
| InChIKey | VYMIHEBRKGBIJG-GXSJLCMTSA-N |
Product Overview
trans-6-(4-Bromophenyl)-5-nitropiperidin-2-one (CAS 1219633-48-3), with molecular formula C11H11BrN2O3 and molecular weight 298.00 g/mol. IUPAC: (5S,6R)-6-(4-bromophenyl)-5-nitropiperidin-2-one.
Chemical Property Profile of trans-6-(4-Bromophenyl)-5-nitropiperidin-2-one
Property Insights of trans-6-(4-Bromophenyl)-5-nitropiperidin-2-one
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for trans-6-(4-Bromophenyl)-5-nitropiperidin-2-one. The TPSA of 74.9 Ų falls within the moderate polarity range, balancing permeability and solubility for trans-6-(4-Bromophenyl)-5-nitropiperidin-2-one. Following Lipinski's Rule of Five, trans-6-(4-Bromophenyl)-5-nitropiperidin-2-one has 1 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 trans-6-(4-Bromophenyl)-5-nitropiperidin-2-one?
The CAS number of trans-6-(4-Bromophenyl)-5-nitropiperidin-2-one is 1219633-48-3.
What is the molecular formula of trans-6-(4-Bromophenyl)-5-nitropiperidin-2-one?
The molecular formula of trans-6-(4-Bromophenyl)-5-nitropiperidin-2-one is C11H11BrN2O3.
What is the molecular weight of trans-6-(4-Bromophenyl)-5-nitropiperidin-2-one?
The molecular weight of trans-6-(4-Bromophenyl)-5-nitropiperidin-2-one is 298.00 g/mol.
Where can I buy trans-6-(4-Bromophenyl)-5-nitropiperidin-2-one?
You can request a quote for trans-6-(4-Bromophenyl)-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 trans-6-(4-Bromophenyl)-5-nitropiperidin-2-one?
Yes, KEHONG BIO provides custom synthesis services for trans-6-(4-Bromophenyl)-5-nitropiperidin-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.