![1-[4-(2,3-Dimethoxybenzyl)piperazin-1-yl]-3-methylbutan-1-one structure](/static/products/4237/423734-89-8.webp)
1-[4-(2,3-Dimethoxybenzyl)piperazin-1-yl]-3-methylbutan-1-one
TL;DR: 1-[4-(2,3-Dimethoxybenzyl)piperazin-1-yl]-3-methylbutan-1-one (CAS 423734-89-8) is a chemical compound with molecular formula C18H28N2O3 and molecular weight 320.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[4-[(2,3-dimethoxyphenyl)methyl]piperazin-1-yl]-3-methylbutan-1-one
Also Known As: BAS 01234415, AB00101361-01, 1-(2,3-dimethoxybenzyl)-4-(3-methylbutanoyl)piperazine, 1-[4-(2,3-dimethoxybenzyl)piperazin-1-yl]-3-methylbutan-1-one, 1-[4-[(2,3-dimethoxyphenyl)methyl]piperazin-1-yl]-3-methylbutan-1-one
| Molecular Formula | C18H28N2O3 |
|---|---|
| Molecular Weight | 320.21 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 42.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 320.21 |
| Heavy Atoms | 23 |
| Complexity | 367.0 |
Chemical Identifiers
| CAS Number | 423734-89-8 |
|---|---|
| SMILES | CC(C)CC(=O)N1CCN(CC1)CC2=C(C(=CC=C2)OC)OC |
| InChIKey | KXMKFLSNAAGQSI-UHFFFAOYSA-N |
Product Overview
1-[4-(2,3-Dimethoxybenzyl)piperazin-1-yl]-3-methylbutan-1-one (CAS 423734-89-8), with molecular formula C18H28N2O3 and molecular weight 320.21 g/mol. IUPAC: 1-[4-[(2,3-dimethoxyphenyl)methyl]piperazin-1-yl]-3-methylbutan-1-one.
Chemical Property Profile of 1-[4-(2,3-Dimethoxybenzyl)piperazin-1-yl]-3-methylbutan-1-one
Property Insights of 1-[4-(2,3-Dimethoxybenzyl)piperazin-1-yl]-3-methylbutan-1-one
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[4-(2,3-Dimethoxybenzyl)piperazin-1-yl]-3-methylbutan-1-one. With a topological polar surface area (TPSA) of 42.0 Ų, 1-[4-(2,3-Dimethoxybenzyl)piperazin-1-yl]-3-methylbutan-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-[4-(2,3-Dimethoxybenzyl)piperazin-1-yl]-3-methylbutan-1-one 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 1-[4-(2,3-Dimethoxybenzyl)piperazin-1-yl]-3-methylbutan-1-one?
The CAS number of 1-[4-(2,3-Dimethoxybenzyl)piperazin-1-yl]-3-methylbutan-1-one is 423734-89-8.
What is the molecular formula of 1-[4-(2,3-Dimethoxybenzyl)piperazin-1-yl]-3-methylbutan-1-one?
The molecular formula of 1-[4-(2,3-Dimethoxybenzyl)piperazin-1-yl]-3-methylbutan-1-one is C18H28N2O3.
What is the molecular weight of 1-[4-(2,3-Dimethoxybenzyl)piperazin-1-yl]-3-methylbutan-1-one?
The molecular weight of 1-[4-(2,3-Dimethoxybenzyl)piperazin-1-yl]-3-methylbutan-1-one is 320.21 g/mol.
Where can I buy 1-[4-(2,3-Dimethoxybenzyl)piperazin-1-yl]-3-methylbutan-1-one?
You can request a quote for 1-[4-(2,3-Dimethoxybenzyl)piperazin-1-yl]-3-methylbutan-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[4-(2,3-Dimethoxybenzyl)piperazin-1-yl]-3-methylbutan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 1-[4-(2,3-Dimethoxybenzyl)piperazin-1-yl]-3-methylbutan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.