(4-Benzylpiperazin-1-yl)(5-nitrofuran-2-yl)methanone
TL;DR: (4-Benzylpiperazin-1-yl)(5-nitrofuran-2-yl)methanone (CAS 69147-13-3) is a chemical compound with molecular formula C16H17N3O4 and molecular weight 315.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-benzylpiperazin-1-yl)-(5-nitrofuran-2-yl)methanone
Also Known As: (4-benzylpiperazin-1-yl)(5-nitrofuran-2-yl)methanone, 1-Benzyl-4-{5-nitro-2-furoyl}, BAS 00315383, (4-benzylpiperazin-1-yl)-(5-nitrofuran-2-yl)methanone, 1-benzyl-4-{5-nitro-2-furoyl}piperazine
| Molecular Formula | C16H17N3O4 |
|---|---|
| Molecular Weight | 315.12 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 82.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 315.12192 |
| Heavy Atoms | 23 |
| Complexity | 426.0 |
Chemical Identifiers
| CAS Number | 69147-13-3 |
|---|---|
| SMILES | C1CN(CCN1CC2=CC=CC=C2)C(=O)C3=CC=C(O3)[N+](=O)[O-] |
| InChIKey | WJQLRFJWYFRPHO-UHFFFAOYSA-N |
Product Overview
(4-Benzylpiperazin-1-yl)(5-nitrofuran-2-yl)methanone (CAS 69147-13-3), with molecular formula C16H17N3O4 and molecular weight 315.12 g/mol. IUPAC: (4-benzylpiperazin-1-yl)-(5-nitrofuran-2-yl)methanone.
Chemical Property Profile of (4-Benzylpiperazin-1-yl)(5-nitrofuran-2-yl)methanone
Property Insights of (4-Benzylpiperazin-1-yl)(5-nitrofuran-2-yl)methanone
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (4-Benzylpiperazin-1-yl)(5-nitrofuran-2-yl)methanone. The TPSA of 82.5 Ų falls within the moderate polarity range, balancing permeability and solubility for (4-Benzylpiperazin-1-yl)(5-nitrofuran-2-yl)methanone. Following Lipinski's Rule of Five, (4-Benzylpiperazin-1-yl)(5-nitrofuran-2-yl)methanone 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 (4-Benzylpiperazin-1-yl)(5-nitrofuran-2-yl)methanone?
The CAS number of (4-Benzylpiperazin-1-yl)(5-nitrofuran-2-yl)methanone is 69147-13-3.
What is the molecular formula of (4-Benzylpiperazin-1-yl)(5-nitrofuran-2-yl)methanone?
The molecular formula of (4-Benzylpiperazin-1-yl)(5-nitrofuran-2-yl)methanone is C16H17N3O4.
What is the molecular weight of (4-Benzylpiperazin-1-yl)(5-nitrofuran-2-yl)methanone?
The molecular weight of (4-Benzylpiperazin-1-yl)(5-nitrofuran-2-yl)methanone is 315.12 g/mol.
Where can I buy (4-Benzylpiperazin-1-yl)(5-nitrofuran-2-yl)methanone?
You can request a quote for (4-Benzylpiperazin-1-yl)(5-nitrofuran-2-yl)methanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-Benzylpiperazin-1-yl)(5-nitrofuran-2-yl)methanone?
Yes, KEHONG BIO provides custom synthesis services for (4-Benzylpiperazin-1-yl)(5-nitrofuran-2-yl)methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.