2-Butyl-3,6-dimethylpyrazine
TL;DR: 2-Butyl-3,6-dimethylpyrazine (CAS 40790-29-2) is a chemical compound with molecular formula C10H16N2 and molecular weight 164.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-butyl-2,5-dimethylpyrazine
Also Known As: 3-Butyl-2,5-dimethylpyrazine, 2,5-Dimethyl-3-butylpyrazine, 2-butyl-3,6-dimethylpyrazine, Pyrazine, 3-butyl-2,5-dimethyl-, RefChem:86027
| Molecular Formula | C10H16N2 |
|---|---|
| Molecular Weight | 164.13 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 25.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 164.13135 |
| Heavy Atoms | 12 |
| Complexity | 125.0 |
Chemical Identifiers
| CAS Number | 40790-29-2 |
|---|---|
| SMILES | CCCCC1=NC(=CN=C1C)C |
| InChIKey | UWJKKFNWVRAFPM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Butyl-3,6-dimethylpyrazine (CAS 40790-29-2), with molecular formula C10H16N2 and molecular weight 164.13 g/mol. IUPAC: 3-butyl-2,5-dimethylpyrazine.
Chemical Property Profile of 2-Butyl-3,6-dimethylpyrazine
Property Insights of 2-Butyl-3,6-dimethylpyrazine
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Butyl-3,6-dimethylpyrazine. With a topological polar surface area (TPSA) of 25.8 Ų, 2-Butyl-3,6-dimethylpyrazine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Butyl-3,6-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 2-Butyl-3,6-dimethylpyrazine?
The CAS number of 2-Butyl-3,6-dimethylpyrazine is 40790-29-2.
What is the molecular formula of 2-Butyl-3,6-dimethylpyrazine?
The molecular formula of 2-Butyl-3,6-dimethylpyrazine is C10H16N2.
What is the molecular weight of 2-Butyl-3,6-dimethylpyrazine?
The molecular weight of 2-Butyl-3,6-dimethylpyrazine is 164.13 g/mol.
Where can I buy 2-Butyl-3,6-dimethylpyrazine?
You can request a quote for 2-Butyl-3,6-dimethylpyrazine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Butyl-3,6-dimethylpyrazine?
Yes, KEHONG BIO provides custom synthesis services for 2-Butyl-3,6-dimethylpyrazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.