2-Chloro-5-isobutyl-3-methylpyrazine
TL;DR: 2-Chloro-5-isobutyl-3-methylpyrazine (CAS 78246-23-8) is a chemical compound with molecular formula C9H13ClN2 and molecular weight 184.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-3-methyl-5-(2-methylpropyl)pyrazine
Also Known As: 2-chloro-5-isobutyl-3-methylpyrazine, 2-chloro-3-methyl-5-(2-methylpropyl)pyrazine, Pyrazine, 2-chloro-3-methyl-5-(2-methylpropyl)
| Molecular Formula | C9H13ClN2 |
|---|---|
| Molecular Weight | 184.08 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 25.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 184.07672 |
| Heavy Atoms | 12 |
| Complexity | 138.0 |
Chemical Identifiers
| CAS Number | 78246-23-8 |
|---|---|
| SMILES | CC1=NC(=CN=C1Cl)CC(C)C |
| InChIKey | BLAZRQIWPGECMI-UHFFFAOYSA-N |
Product Overview
2-Chloro-5-isobutyl-3-methylpyrazine (CAS 78246-23-8), with molecular formula C9H13ClN2 and molecular weight 184.08 g/mol. IUPAC: 2-chloro-3-methyl-5-(2-methylpropyl)pyrazine.
Chemical Property Profile of 2-Chloro-5-isobutyl-3-methylpyrazine
Property Insights of 2-Chloro-5-isobutyl-3-methylpyrazine
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Chloro-5-isobutyl-3-methylpyrazine. With a topological polar surface area (TPSA) of 25.8 Ų, 2-Chloro-5-isobutyl-3-methylpyrazine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chloro-5-isobutyl-3-methylpyrazine 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-Chloro-5-isobutyl-3-methylpyrazine?
The CAS number of 2-Chloro-5-isobutyl-3-methylpyrazine is 78246-23-8.
What is the molecular formula of 2-Chloro-5-isobutyl-3-methylpyrazine?
The molecular formula of 2-Chloro-5-isobutyl-3-methylpyrazine is C9H13ClN2.
What is the molecular weight of 2-Chloro-5-isobutyl-3-methylpyrazine?
The molecular weight of 2-Chloro-5-isobutyl-3-methylpyrazine is 184.08 g/mol.
Where can I buy 2-Chloro-5-isobutyl-3-methylpyrazine?
You can request a quote for 2-Chloro-5-isobutyl-3-methylpyrazine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chloro-5-isobutyl-3-methylpyrazine?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloro-5-isobutyl-3-methylpyrazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.