5-Isobutyl-3-methyl-2-phenoxypyrazine
TL;DR: 5-Isobutyl-3-methyl-2-phenoxypyrazine (CAS 78246-16-9) is a chemical compound with molecular formula C15H18N2O and molecular weight 242.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-5-(2-methylpropyl)-2-phenoxypyrazine
Also Known As: 5-isobutyl-3-methyl-2-phenoxypyrazine, 3-methyl-5-(2-methylpropyl)-2-phenoxypyrazine, Pyrazine, 3-methyl-5-(2-methylpropyl)-2-phenoxy, Pyrazine, 3-methyl-5-(2-methylpropyl)-2-phenoxy-, RefChem:303569
| Molecular Formula | C15H18N2O |
|---|---|
| Molecular Weight | 242.14 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 35.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 242.1419 |
| Heavy Atoms | 18 |
| Complexity | 239.0 |
Chemical Identifiers
| CAS Number | 78246-16-9 |
|---|---|
| SMILES | CC1=NC(=CN=C1OC2=CC=CC=C2)CC(C)C |
| InChIKey | VQFWHEXRDILCNY-UHFFFAOYSA-N |
Product Overview
5-Isobutyl-3-methyl-2-phenoxypyrazine (CAS 78246-16-9), with molecular formula C15H18N2O and molecular weight 242.14 g/mol. IUPAC: 3-methyl-5-(2-methylpropyl)-2-phenoxypyrazine.
Chemical Property Profile of 5-Isobutyl-3-methyl-2-phenoxypyrazine
Property Insights of 5-Isobutyl-3-methyl-2-phenoxypyrazine
The XLogP value of 3.7 indicates that 5-Isobutyl-3-methyl-2-phenoxypyrazine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.0 Ų, 5-Isobutyl-3-methyl-2-phenoxypyrazine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Isobutyl-3-methyl-2-phenoxypyrazine 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 5-Isobutyl-3-methyl-2-phenoxypyrazine?
The CAS number of 5-Isobutyl-3-methyl-2-phenoxypyrazine is 78246-16-9.
What is the molecular formula of 5-Isobutyl-3-methyl-2-phenoxypyrazine?
The molecular formula of 5-Isobutyl-3-methyl-2-phenoxypyrazine is C15H18N2O.
What is the molecular weight of 5-Isobutyl-3-methyl-2-phenoxypyrazine?
The molecular weight of 5-Isobutyl-3-methyl-2-phenoxypyrazine is 242.14 g/mol.
Where can I buy 5-Isobutyl-3-methyl-2-phenoxypyrazine?
You can request a quote for 5-Isobutyl-3-methyl-2-phenoxypyrazine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Isobutyl-3-methyl-2-phenoxypyrazine?
Yes, KEHONG BIO provides custom synthesis services for 5-Isobutyl-3-methyl-2-phenoxypyrazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.