3-(4-benzylpiperazin-1-yl)-N-(2-methylphenyl)propanamide
TL;DR: 3-(4-benzylpiperazin-1-yl)-N-(2-methylphenyl)propanamide (CAS 429623-88-1) is a chemical compound with molecular formula C21H27N3O and molecular weight 337.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-benzylpiperazin-1-yl)-N-(2-methylphenyl)propanamide
Also Known As: 3-(4-benzylpiperazin-1-yl)-N-(2-methylphenyl)propanamide, BAS 03086598, AB00110328-01, 3-(4-Benzyl-piperazin-1-yl)-N-o-tolyl-propionamide, N-(2-methylphenyl)-3-[4-benzylpiperazinyl]propanamide
| Molecular Formula | C21H27N3O |
|---|---|
| Molecular Weight | 337.22 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 35.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 337.21542 |
| Heavy Atoms | 25 |
| Complexity | 400.0 |
Chemical Identifiers
| CAS Number | 429623-88-1 |
|---|---|
| SMILES | CC1=CC=CC=C1NC(=O)CCN2CCN(CC2)CC3=CC=CC=C3 |
| InChIKey | KOJXTANAHHYAPC-UHFFFAOYSA-N |
Product Overview
3-(4-benzylpiperazin-1-yl)-N-(2-methylphenyl)propanamide (CAS 429623-88-1), with molecular formula C21H27N3O and molecular weight 337.22 g/mol. IUPAC: 3-(4-benzylpiperazin-1-yl)-N-(2-methylphenyl)propanamide.
Chemical Property Profile of 3-(4-benzylpiperazin-1-yl)-N-(2-methylphenyl)propanamide
Property Insights of 3-(4-benzylpiperazin-1-yl)-N-(2-methylphenyl)propanamide
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(4-benzylpiperazin-1-yl)-N-(2-methylphenyl)propanamide. With a topological polar surface area (TPSA) of 35.6 Ų, 3-(4-benzylpiperazin-1-yl)-N-(2-methylphenyl)propanamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-benzylpiperazin-1-yl)-N-(2-methylphenyl)propanamide has 1 hydrogen bond donor(s) and 3 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 3-(4-benzylpiperazin-1-yl)-N-(2-methylphenyl)propanamide?
The CAS number of 3-(4-benzylpiperazin-1-yl)-N-(2-methylphenyl)propanamide is 429623-88-1.
What is the molecular formula of 3-(4-benzylpiperazin-1-yl)-N-(2-methylphenyl)propanamide?
The molecular formula of 3-(4-benzylpiperazin-1-yl)-N-(2-methylphenyl)propanamide is C21H27N3O.
What is the molecular weight of 3-(4-benzylpiperazin-1-yl)-N-(2-methylphenyl)propanamide?
The molecular weight of 3-(4-benzylpiperazin-1-yl)-N-(2-methylphenyl)propanamide is 337.22 g/mol.
Where can I buy 3-(4-benzylpiperazin-1-yl)-N-(2-methylphenyl)propanamide?
You can request a quote for 3-(4-benzylpiperazin-1-yl)-N-(2-methylphenyl)propanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-benzylpiperazin-1-yl)-N-(2-methylphenyl)propanamide?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-benzylpiperazin-1-yl)-N-(2-methylphenyl)propanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.