5-nitro-2-(piperidin-4-ylmethyl)-1H-isoindole-1,3(2H)-dione
TL;DR: 5-nitro-2-(piperidin-4-ylmethyl)-1H-isoindole-1,3(2H)-dione (CAS 332129-34-7) is a chemical compound with molecular formula C14H15N3O4 and molecular weight 289.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-nitro-2-(piperidin-4-ylmethyl)isoindole-1,3-dione
Also Known As: BAS 01170358, 5-nitro-2-(piperidin-4-ylmethyl)isoindole-1,3-dione, 5-Nitro-2-piperidin-4-ylmethyl-isoindole-1,3-dione, 5-nitro-2-(4-piperidylmethyl)benzo[c]azoline-1,3-dione, 5-nitro-2-(piperidin-4-ylmethyl)-1H-isoindole-1,3(2H)-dione
| Molecular Formula | C14H15N3O4 |
|---|---|
| Molecular Weight | 289.11 g/mol |
| LogP | 1.1904 |
| Topological Polar Surface Area | 92.55 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 289.10626 |
| Heavy Atoms | 21 |
| Complexity | 622.6452 |
Chemical Identifiers
| CAS Number | 332129-34-7 |
|---|---|
| SMILES | C1CNCCC1CN2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-] |
Product Overview
5-nitro-2-(piperidin-4-ylmethyl)-1H-isoindole-1,3(2H)-dione (CAS 332129-34-7), with molecular formula C14H15N3O4 and molecular weight 289.11 g/mol. IUPAC: 5-nitro-2-(piperidin-4-ylmethyl)isoindole-1,3-dione.
Chemical Property Profile of 5-nitro-2-(piperidin-4-ylmethyl)-1H-isoindole-1,3(2H)-dione
Property Insights of 5-nitro-2-(piperidin-4-ylmethyl)-1H-isoindole-1,3(2H)-dione
The XLogP value of 1.1904 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-nitro-2-(piperidin-4-ylmethyl)-1H-isoindole-1,3(2H)-dione. The TPSA of 92.55 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-nitro-2-(piperidin-4-ylmethyl)-1H-isoindole-1,3(2H)-dione. Following Lipinski's Rule of Five, 5-nitro-2-(piperidin-4-ylmethyl)-1H-isoindole-1,3(2H)-dione 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 5-nitro-2-(piperidin-4-ylmethyl)-1H-isoindole-1,3(2H)-dione?
The CAS number of 5-nitro-2-(piperidin-4-ylmethyl)-1H-isoindole-1,3(2H)-dione is 332129-34-7.
What is the molecular formula of 5-nitro-2-(piperidin-4-ylmethyl)-1H-isoindole-1,3(2H)-dione?
The molecular formula of 5-nitro-2-(piperidin-4-ylmethyl)-1H-isoindole-1,3(2H)-dione is C14H15N3O4.
What is the molecular weight of 5-nitro-2-(piperidin-4-ylmethyl)-1H-isoindole-1,3(2H)-dione?
The molecular weight of 5-nitro-2-(piperidin-4-ylmethyl)-1H-isoindole-1,3(2H)-dione is 289.11 g/mol.
Where can I buy 5-nitro-2-(piperidin-4-ylmethyl)-1H-isoindole-1,3(2H)-dione?
You can request a quote for 5-nitro-2-(piperidin-4-ylmethyl)-1H-isoindole-1,3(2H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-nitro-2-(piperidin-4-ylmethyl)-1H-isoindole-1,3(2H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 5-nitro-2-(piperidin-4-ylmethyl)-1H-isoindole-1,3(2H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.