1-(2-Furylmethyl)-4-(3-nitrobenzyl)piperazine
TL;DR: 1-(2-Furylmethyl)-4-(3-nitrobenzyl)piperazine (CAS 5931-57-7) is a chemical compound with molecular formula C16H19N3O3 and molecular weight 301.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(furan-2-ylmethyl)-4-[(3-nitrophenyl)methyl]piperazine
Also Known As: CBKinase1_000961, CBKinase1_013361, KST-1B5995, 1-(2-furylmethyl)-4-(3-nitrobenzyl)piperazine, BAS 01840663
| Molecular Formula | C16H19N3O3 |
|---|---|
| Molecular Weight | 301.14 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 65.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 301.14264 |
| Heavy Atoms | 22 |
| Complexity | 366.0 |
Chemical Identifiers
| CAS Number | 5931-57-7 |
|---|---|
| SMILES | C1CN(CCN1CC2=CC(=CC=C2)[N+](=O)[O-])CC3=CC=CO3 |
| InChIKey | IBMIEFGZLDSKLM-UHFFFAOYSA-N |
Product Overview
1-(2-Furylmethyl)-4-(3-nitrobenzyl)piperazine (CAS 5931-57-7), with molecular formula C16H19N3O3 and molecular weight 301.14 g/mol. IUPAC: 1-(furan-2-ylmethyl)-4-[(3-nitrophenyl)methyl]piperazine.
Chemical Property Profile of 1-(2-Furylmethyl)-4-(3-nitrobenzyl)piperazine
Property Insights of 1-(2-Furylmethyl)-4-(3-nitrobenzyl)piperazine
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(2-Furylmethyl)-4-(3-nitrobenzyl)piperazine. The TPSA of 65.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(2-Furylmethyl)-4-(3-nitrobenzyl)piperazine. Following Lipinski's Rule of Five, 1-(2-Furylmethyl)-4-(3-nitrobenzyl)piperazine has 0 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 1-(2-Furylmethyl)-4-(3-nitrobenzyl)piperazine?
The CAS number of 1-(2-Furylmethyl)-4-(3-nitrobenzyl)piperazine is 5931-57-7.
What is the molecular formula of 1-(2-Furylmethyl)-4-(3-nitrobenzyl)piperazine?
The molecular formula of 1-(2-Furylmethyl)-4-(3-nitrobenzyl)piperazine is C16H19N3O3.
What is the molecular weight of 1-(2-Furylmethyl)-4-(3-nitrobenzyl)piperazine?
The molecular weight of 1-(2-Furylmethyl)-4-(3-nitrobenzyl)piperazine is 301.14 g/mol.
Where can I buy 1-(2-Furylmethyl)-4-(3-nitrobenzyl)piperazine?
You can request a quote for 1-(2-Furylmethyl)-4-(3-nitrobenzyl)piperazine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2-Furylmethyl)-4-(3-nitrobenzyl)piperazine?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-Furylmethyl)-4-(3-nitrobenzyl)piperazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.