2-(4-Methylpiperazino)-1,3-benzoxazole
TL;DR: 2-(4-Methylpiperazino)-1,3-benzoxazole (CAS 20128-05-6) is a chemical compound with molecular formula C12H15N3O and molecular weight 217.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-methylpiperazin-1-yl)-1,3-benzoxazole
Also Known As: 2-(4-methylpiperazin-1-yl)-1,3-benzoxazole, 2-(4-methylpiperazino)-1,3-benzoxazole, Benzoxazole, 2-(4-methyl-1-piperazinyl)-, 2-(4-Methylpiperazino)benzoxazole, 2-(4-Methyl-1-piperazinyl)benzoxazole
| Molecular Formula | C12H15N3O |
|---|---|
| Molecular Weight | 217.12 g/mol |
| LogP | 1.5796 |
| Topological Polar Surface Area | 32.51 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 217.1215 |
| Heavy Atoms | 16 |
| Complexity | 452.72446 |
Chemical Identifiers
| CAS Number | 20128-05-6 |
|---|---|
| SMILES | CN1CCN(CC1)C2=NC3=CC=CC=C3O2 |
Product Overview
2-(4-Methylpiperazino)-1,3-benzoxazole (CAS 20128-05-6), with molecular formula C12H15N3O and molecular weight 217.12 g/mol. IUPAC: 2-(4-methylpiperazin-1-yl)-1,3-benzoxazole.
Chemical Property Profile of 2-(4-Methylpiperazino)-1,3-benzoxazole
Property Insights of 2-(4-Methylpiperazino)-1,3-benzoxazole
The XLogP value of 1.5796 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4-Methylpiperazino)-1,3-benzoxazole. With a topological polar surface area (TPSA) of 32.51 Ų, 2-(4-Methylpiperazino)-1,3-benzoxazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-Methylpiperazino)-1,3-benzoxazole 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 2-(4-Methylpiperazino)-1,3-benzoxazole?
The CAS number of 2-(4-Methylpiperazino)-1,3-benzoxazole is 20128-05-6.
What is the molecular formula of 2-(4-Methylpiperazino)-1,3-benzoxazole?
The molecular formula of 2-(4-Methylpiperazino)-1,3-benzoxazole is C12H15N3O.
What is the molecular weight of 2-(4-Methylpiperazino)-1,3-benzoxazole?
The molecular weight of 2-(4-Methylpiperazino)-1,3-benzoxazole is 217.12 g/mol.
Where can I buy 2-(4-Methylpiperazino)-1,3-benzoxazole?
You can request a quote for 2-(4-Methylpiperazino)-1,3-benzoxazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-Methylpiperazino)-1,3-benzoxazole?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Methylpiperazino)-1,3-benzoxazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.