1-Piperazineethanol, alpha-methoxymethyl-4-o-tolyl-, methylcarbamate
TL;DR: 1-Piperazineethanol, alpha-methoxymethyl-4-o-tolyl-, methylcarbamate (CAS 102233-24-9) is a chemical compound with molecular formula C17H27N3O3 and molecular weight 321.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[1-methoxy-3-[4-(2-methylphenyl)piperazin-1-yl]propan-2-yl] N-methylcarbamate
Also Known As: alpha-Methoxymethyl-4-o-tolyl-1-piperazineethanol methylcarbamate, NCI60_020910, 1-Piperazineethanol, alpha-methoxymethyl-4-o-tolyl-, methylcarbamate, Methylcarbamic acid, ester with 1-(2-hydroxy-3-methoxypropyl)-4-o-tolyl piperazine, 2-Methoxy-1-((4-(2-methylphenyl)-1-piperazinyl)methyl)ethyl methylcarbamate
| Molecular Formula | C17H27N3O3 |
|---|---|
| Molecular Weight | 321.21 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 54.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 321.20523 |
| Heavy Atoms | 23 |
| Complexity | 359.0 |
Chemical Identifiers
| CAS Number | 102233-24-9 |
|---|---|
| SMILES | CC1=CC=CC=C1N2CCN(CC2)CC(COC)OC(=O)NC |
| InChIKey | FQAYLEMUHCIKDA-UHFFFAOYSA-N |
Product Overview
1-Piperazineethanol, alpha-methoxymethyl-4-o-tolyl-, methylcarbamate (CAS 102233-24-9), with molecular formula C17H27N3O3 and molecular weight 321.21 g/mol. IUPAC: [1-methoxy-3-[4-(2-methylphenyl)piperazin-1-yl]propan-2-yl] N-methylcarbamate.
Chemical Property Profile of 1-Piperazineethanol, alpha-methoxymethyl-4-o-tolyl-, methylcarbamate
Property Insights of 1-Piperazineethanol, alpha-methoxymethyl-4-o-tolyl-, methylcarbamate
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Piperazineethanol, alpha-methoxymethyl-4-o-tolyl-, methylcarbamate. With a topological polar surface area (TPSA) of 54.0 Ų, 1-Piperazineethanol, alpha-methoxymethyl-4-o-tolyl-, methylcarbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Piperazineethanol, alpha-methoxymethyl-4-o-tolyl-, methylcarbamate has 1 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 1-Piperazineethanol, alpha-methoxymethyl-4-o-tolyl-, methylcarbamate?
The CAS number of 1-Piperazineethanol, alpha-methoxymethyl-4-o-tolyl-, methylcarbamate is 102233-24-9.
What is the molecular formula of 1-Piperazineethanol, alpha-methoxymethyl-4-o-tolyl-, methylcarbamate?
The molecular formula of 1-Piperazineethanol, alpha-methoxymethyl-4-o-tolyl-, methylcarbamate is C17H27N3O3.
What is the molecular weight of 1-Piperazineethanol, alpha-methoxymethyl-4-o-tolyl-, methylcarbamate?
The molecular weight of 1-Piperazineethanol, alpha-methoxymethyl-4-o-tolyl-, methylcarbamate is 321.21 g/mol.
Where can I buy 1-Piperazineethanol, alpha-methoxymethyl-4-o-tolyl-, methylcarbamate?
You can request a quote for 1-Piperazineethanol, alpha-methoxymethyl-4-o-tolyl-, methylcarbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Piperazineethanol, alpha-methoxymethyl-4-o-tolyl-, methylcarbamate?
Yes, KEHONG BIO provides custom synthesis services for 1-Piperazineethanol, alpha-methoxymethyl-4-o-tolyl-, methylcarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.