(4-Benzylpiperazin-1-yl)(2-methyl-3-nitrophenyl)methanone
TL;DR: (4-Benzylpiperazin-1-yl)(2-methyl-3-nitrophenyl)methanone (CAS 349404-12-2) 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)-(2-methyl-3-nitrophenyl)methanone
Also Known As: (4-benzylpiperazin-1-yl)(2-methyl-3-nitrophenyl)methanone, VU0607416-1, 1-BENZYL-4-(2-METHYL-3-NITROBENZOYL)PIPERAZINE, 2-methyl-3-nitrophenyl 4-benzylpiperazinyl ketone, (4-benzylpiperazin-1-yl)-(2-methyl-3-nitrophenyl)methanone
| Molecular Formula | C19H21N3O3 |
|---|---|
| Molecular Weight | 339.16 g/mol |
| LogP | 2.86122 |
| Topological Polar Surface Area | 66.69 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 339.1583 |
| Heavy Atoms | 25 |
| Complexity | 768.7387 |
Chemical Identifiers
| CAS Number | 349404-12-2 |
|---|---|
| SMILES | CC1=C(C=CC=C1[N+](=O)[O-])C(=O)N2CCN(CC2)CC3=CC=CC=C3 |
Product Overview
(4-Benzylpiperazin-1-yl)(2-methyl-3-nitrophenyl)methanone (CAS 349404-12-2), with molecular formula C19H21N3O3 and molecular weight 339.16 g/mol. IUPAC: (4-benzylpiperazin-1-yl)-(2-methyl-3-nitrophenyl)methanone.
Chemical Property Profile of (4-Benzylpiperazin-1-yl)(2-methyl-3-nitrophenyl)methanone
Property Insights of (4-Benzylpiperazin-1-yl)(2-methyl-3-nitrophenyl)methanone
The XLogP value of 2.86122 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (4-Benzylpiperazin-1-yl)(2-methyl-3-nitrophenyl)methanone. The TPSA of 66.69 Ų falls within the moderate polarity range, balancing permeability and solubility for (4-Benzylpiperazin-1-yl)(2-methyl-3-nitrophenyl)methanone. Following Lipinski's Rule of Five, (4-Benzylpiperazin-1-yl)(2-methyl-3-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)(2-methyl-3-nitrophenyl)methanone?
The CAS number of (4-Benzylpiperazin-1-yl)(2-methyl-3-nitrophenyl)methanone is 349404-12-2.
What is the molecular formula of (4-Benzylpiperazin-1-yl)(2-methyl-3-nitrophenyl)methanone?
The molecular formula of (4-Benzylpiperazin-1-yl)(2-methyl-3-nitrophenyl)methanone is C19H21N3O3.
What is the molecular weight of (4-Benzylpiperazin-1-yl)(2-methyl-3-nitrophenyl)methanone?
The molecular weight of (4-Benzylpiperazin-1-yl)(2-methyl-3-nitrophenyl)methanone is 339.16 g/mol.
Where can I buy (4-Benzylpiperazin-1-yl)(2-methyl-3-nitrophenyl)methanone?
You can request a quote for (4-Benzylpiperazin-1-yl)(2-methyl-3-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)(2-methyl-3-nitrophenyl)methanone?
Yes, KEHONG BIO provides custom synthesis services for (4-Benzylpiperazin-1-yl)(2-methyl-3-nitrophenyl)methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.