Modaline
TL;DR: Modaline (CAS 2856-74-8) is a chemical compound with molecular formula C10H15N3 and molecular weight 177.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-3-piperidin-1-ylpyrazine
Also Known As: MODALINE, Modalinum, Modalina, Modalin, Modaline [INN]
| Molecular Formula | C10H15N3 |
|---|---|
| Molecular Weight | 177.13 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 29.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 177.1266 |
| Heavy Atoms | 13 |
| Complexity | 154.0 |
Chemical Identifiers
| CAS Number | 2856-74-8 |
|---|---|
| SMILES | CC1=NC=CN=C1N2CCCCC2 |
| InChIKey | BJHCGMHPEKLROM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Modaline (CAS 2856-74-8), with molecular formula C10H15N3 and molecular weight 177.13 g/mol. IUPAC: 2-methyl-3-piperidin-1-ylpyrazine.
Chemical Property Profile of Modaline
Property Insights of Modaline
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Modaline. With a topological polar surface area (TPSA) of 29.0 Ų, Modaline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Modaline has 0 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 Modaline?
The CAS number of Modaline is 2856-74-8.
What is the molecular formula of Modaline?
The molecular formula of Modaline is C10H15N3.
What is the molecular weight of Modaline?
The molecular weight of Modaline is 177.13 g/mol.
Where can I buy Modaline?
You can request a quote for Modaline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Modaline?
Yes, KEHONG BIO provides custom synthesis services for Modaline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.