5-Isopentyl-2,3-dimethylpyrazine
TL;DR: 5-Isopentyl-2,3-dimethylpyrazine (CAS 18450-01-6) is a chemical compound with molecular formula C11H18N2 and molecular weight 178.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3-dimethyl-5-(3-methylbutyl)pyrazine
Also Known As: 5-Isopentyl-2,3-dimethylpyrazine, 2,3-Dimethyl-5-isopentylpyrazine, 2,3-dimethyl-5-(3-methylbutyl)pyrazine, Pyrazine, 2,3-dimethyl-5-(3-methylbutyl), Pyrazine, 2,3-dimethyl-5-(3-methylbutyl)-
| Molecular Formula | C11H18N2 |
|---|---|
| Molecular Weight | 178.15 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 25.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 178.147 |
| Heavy Atoms | 13 |
| Complexity | 145.0 |
Chemical Identifiers
| CAS Number | 18450-01-6 |
|---|---|
| SMILES | CC1=NC=C(N=C1C)CCC(C)C |
| InChIKey | OGUJUYCURMHXHG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Isopentyl-2,3-dimethylpyrazine (CAS 18450-01-6), with molecular formula C11H18N2 and molecular weight 178.15 g/mol. IUPAC: 2,3-dimethyl-5-(3-methylbutyl)pyrazine.
Chemical Property Profile of 5-Isopentyl-2,3-dimethylpyrazine
Property Insights of 5-Isopentyl-2,3-dimethylpyrazine
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Isopentyl-2,3-dimethylpyrazine. With a topological polar surface area (TPSA) of 25.8 Ų, 5-Isopentyl-2,3-dimethylpyrazine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Isopentyl-2,3-dimethylpyrazine has 0 hydrogen bond donor(s) and 2 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 5-Isopentyl-2,3-dimethylpyrazine?
The CAS number of 5-Isopentyl-2,3-dimethylpyrazine is 18450-01-6.
What is the molecular formula of 5-Isopentyl-2,3-dimethylpyrazine?
The molecular formula of 5-Isopentyl-2,3-dimethylpyrazine is C11H18N2.
What is the molecular weight of 5-Isopentyl-2,3-dimethylpyrazine?
The molecular weight of 5-Isopentyl-2,3-dimethylpyrazine is 178.15 g/mol.
Where can I buy 5-Isopentyl-2,3-dimethylpyrazine?
You can request a quote for 5-Isopentyl-2,3-dimethylpyrazine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Isopentyl-2,3-dimethylpyrazine?
Yes, KEHONG BIO provides custom synthesis services for 5-Isopentyl-2,3-dimethylpyrazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.