(4-Benzylpiperazin-1-yl)(3-methyl-4-nitrophenyl)methanone
TL;DR: (4-Benzylpiperazin-1-yl)(3-methyl-4-nitrophenyl)methanone (CAS 309738-80-5) is a chemical compound with molecular formula C19H21N3O3 and molecular weight 339.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-benzylpiperazin-1-yl)-(3-methyl-4-nitrophenyl)methanone
Also Known As: BAS 00785303, BIM-0027192.P001, 3-methyl-4-nitrophenyl 4-benzylpiperazinyl ketone, (4-benzylpiperazin-1-yl)(3-methyl-4-nitrophenyl)methanone, (4-benzylpiperazin-1-yl)-(3-methyl-4-nitrophenyl)methanone
| Molecular Formula | C19H21N3O3 |
|---|---|
| Molecular Weight | 339.16 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 69.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 339.1583 |
| Heavy Atoms | 25 |
| Complexity | 465.0 |
Chemical Identifiers
| CAS Number | 309738-80-5 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)C(=O)N2CCN(CC2)CC3=CC=CC=C3)[N+](=O)[O-] |
| InChIKey | RKQFXAGVZZOLIJ-UHFFFAOYSA-N |
Product Overview
(4-Benzylpiperazin-1-yl)(3-methyl-4-nitrophenyl)methanone (CAS 309738-80-5), with molecular formula C19H21N3O3 and molecular weight 339.16 g/mol. IUPAC: (4-benzylpiperazin-1-yl)-(3-methyl-4-nitrophenyl)methanone.
Chemical Property Profile of (4-Benzylpiperazin-1-yl)(3-methyl-4-nitrophenyl)methanone
Property Insights of (4-Benzylpiperazin-1-yl)(3-methyl-4-nitrophenyl)methanone
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (4-Benzylpiperazin-1-yl)(3-methyl-4-nitrophenyl)methanone. The TPSA of 69.4 Ų falls within the moderate polarity range, balancing permeability and solubility for (4-Benzylpiperazin-1-yl)(3-methyl-4-nitrophenyl)methanone. Following Lipinski's Rule of Five, (4-Benzylpiperazin-1-yl)(3-methyl-4-nitrophenyl)methanone has 0 hydrogen bond donor(s) and 4 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)(3-methyl-4-nitrophenyl)methanone?
The CAS number of (4-Benzylpiperazin-1-yl)(3-methyl-4-nitrophenyl)methanone is 309738-80-5.
What is the molecular formula of (4-Benzylpiperazin-1-yl)(3-methyl-4-nitrophenyl)methanone?
The molecular formula of (4-Benzylpiperazin-1-yl)(3-methyl-4-nitrophenyl)methanone is C19H21N3O3.
What is the molecular weight of (4-Benzylpiperazin-1-yl)(3-methyl-4-nitrophenyl)methanone?
The molecular weight of (4-Benzylpiperazin-1-yl)(3-methyl-4-nitrophenyl)methanone is 339.16 g/mol.
Where can I buy (4-Benzylpiperazin-1-yl)(3-methyl-4-nitrophenyl)methanone?
You can request a quote for (4-Benzylpiperazin-1-yl)(3-methyl-4-nitrophenyl)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)(3-methyl-4-nitrophenyl)methanone?
Yes, KEHONG BIO provides custom synthesis services for (4-Benzylpiperazin-1-yl)(3-methyl-4-nitrophenyl)methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.