2-(Piperazin-1-yl)-1,3-benzoxazole
TL;DR: 2-(Piperazin-1-yl)-1,3-benzoxazole (CAS 111630-84-3) is a chemical compound with molecular formula C11H13N3O and molecular weight 203.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-piperazin-1-yl-1,3-benzoxazole
Also Known As: 2-Piperazin-1-yl-benzooxazole, 2-piperazin-1-yl-1,3-benzoxazole, 2-(piperazin-1-yl)benzo[d]oxazole, 2-(piperazin-1-yl)-1,3-benzoxazole, piperazinyl benzoxazole
| Molecular Formula | C11H13N3O |
|---|---|
| Molecular Weight | 203.11 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 41.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 203.10587 |
| Heavy Atoms | 15 |
| Complexity | 218.0 |
Chemical Identifiers
| CAS Number | 111630-84-3 |
|---|---|
| SMILES | C1CN(CCN1)C2=NC3=CC=CC=C3O2 |
| InChIKey | HLKHIJZYKGDCJM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(Piperazin-1-yl)-1,3-benzoxazole (CAS 111630-84-3), with molecular formula C11H13N3O and molecular weight 203.11 g/mol. IUPAC: 2-piperazin-1-yl-1,3-benzoxazole.
Chemical Property Profile of 2-(Piperazin-1-yl)-1,3-benzoxazole
Property Insights of 2-(Piperazin-1-yl)-1,3-benzoxazole
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Piperazin-1-yl)-1,3-benzoxazole. With a topological polar surface area (TPSA) of 41.3 Ų, 2-(Piperazin-1-yl)-1,3-benzoxazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Piperazin-1-yl)-1,3-benzoxazole has 1 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-(Piperazin-1-yl)-1,3-benzoxazole?
The CAS number of 2-(Piperazin-1-yl)-1,3-benzoxazole is 111630-84-3.
What is the molecular formula of 2-(Piperazin-1-yl)-1,3-benzoxazole?
The molecular formula of 2-(Piperazin-1-yl)-1,3-benzoxazole is C11H13N3O.
What is the molecular weight of 2-(Piperazin-1-yl)-1,3-benzoxazole?
The molecular weight of 2-(Piperazin-1-yl)-1,3-benzoxazole is 203.11 g/mol.
Where can I buy 2-(Piperazin-1-yl)-1,3-benzoxazole?
You can request a quote for 2-(Piperazin-1-yl)-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-(Piperazin-1-yl)-1,3-benzoxazole?
Yes, KEHONG BIO provides custom synthesis services for 2-(Piperazin-1-yl)-1,3-benzoxazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.