5-(4-Methylpiperidin-1-yl)-4-nitro-2,1,3-benzoxadiazole
TL;DR: 5-(4-Methylpiperidin-1-yl)-4-nitro-2,1,3-benzoxadiazole (CAS 354148-77-9) is a chemical compound with molecular formula C12H14N4O3 and molecular weight 262.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(4-methylpiperidin-1-yl)-4-nitro-2,1,3-benzoxadiazole
Also Known As: 5-(4-methylpiperidin-1-yl)-4-nitro-2,1,3-benzoxadiazole, AB00081504-01, 5-(4-methylpiperidyl)-4-nitrobenzo[c]1,2,5-oxadiazole
| Molecular Formula | C12H14N4O3 |
|---|---|
| Molecular Weight | 262.11 g/mol |
| LogP | 2.3673 |
| Topological Polar Surface Area | 85.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 262.1066 |
| Heavy Atoms | 19 |
| Complexity | 616.46204 |
Chemical Identifiers
| CAS Number | 354148-77-9 |
|---|---|
| SMILES | CC1CCN(CC1)C2=C(C3=NON=C3C=C2)[N+](=O)[O-] |
Product Overview
5-(4-Methylpiperidin-1-yl)-4-nitro-2,1,3-benzoxadiazole (CAS 354148-77-9), with molecular formula C12H14N4O3 and molecular weight 262.11 g/mol. IUPAC: 5-(4-methylpiperidin-1-yl)-4-nitro-2,1,3-benzoxadiazole.
Chemical Property Profile of 5-(4-Methylpiperidin-1-yl)-4-nitro-2,1,3-benzoxadiazole
Property Insights of 5-(4-Methylpiperidin-1-yl)-4-nitro-2,1,3-benzoxadiazole
The XLogP value of 2.3673 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(4-Methylpiperidin-1-yl)-4-nitro-2,1,3-benzoxadiazole. The TPSA of 85.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(4-Methylpiperidin-1-yl)-4-nitro-2,1,3-benzoxadiazole. Following Lipinski's Rule of Five, 5-(4-Methylpiperidin-1-yl)-4-nitro-2,1,3-benzoxadiazole has 0 hydrogen bond donor(s) and 6 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 5-(4-Methylpiperidin-1-yl)-4-nitro-2,1,3-benzoxadiazole?
The CAS number of 5-(4-Methylpiperidin-1-yl)-4-nitro-2,1,3-benzoxadiazole is 354148-77-9.
What is the molecular formula of 5-(4-Methylpiperidin-1-yl)-4-nitro-2,1,3-benzoxadiazole?
The molecular formula of 5-(4-Methylpiperidin-1-yl)-4-nitro-2,1,3-benzoxadiazole is C12H14N4O3.
What is the molecular weight of 5-(4-Methylpiperidin-1-yl)-4-nitro-2,1,3-benzoxadiazole?
The molecular weight of 5-(4-Methylpiperidin-1-yl)-4-nitro-2,1,3-benzoxadiazole is 262.11 g/mol.
Where can I buy 5-(4-Methylpiperidin-1-yl)-4-nitro-2,1,3-benzoxadiazole?
You can request a quote for 5-(4-Methylpiperidin-1-yl)-4-nitro-2,1,3-benzoxadiazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(4-Methylpiperidin-1-yl)-4-nitro-2,1,3-benzoxadiazole?
Yes, KEHONG BIO provides custom synthesis services for 5-(4-Methylpiperidin-1-yl)-4-nitro-2,1,3-benzoxadiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.