5-Sec-butyl-2-chloro-3-methylpyrazine
TL;DR: 5-Sec-butyl-2-chloro-3-methylpyrazine (CAS 110823-75-1) 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.
5-butan-2-yl-2-chloro-3-methylpyrazine
Also Known As: 5-sec-butyl-2-chloro-3-methylpyrazine, 5-butan-2-yl-2-chloro-3-methylpyrazine
| Molecular Formula | C9H13ClN2 |
|---|---|
| Molecular Weight | 184.08 g/mol |
| LogP | 2.7 |
| 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 | 140.0 |
Chemical Identifiers
| CAS Number | 110823-75-1 |
|---|---|
| SMILES | CCC(C)C1=CN=C(C(=N1)C)Cl |
| InChIKey | AGBNWOHMAAVHSU-UHFFFAOYSA-N |
Product Overview
5-Sec-butyl-2-chloro-3-methylpyrazine (CAS 110823-75-1), with molecular formula C9H13ClN2 and molecular weight 184.08 g/mol. IUPAC: 5-butan-2-yl-2-chloro-3-methylpyrazine.
Chemical Property Profile of 5-Sec-butyl-2-chloro-3-methylpyrazine
Property Insights of 5-Sec-butyl-2-chloro-3-methylpyrazine
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Sec-butyl-2-chloro-3-methylpyrazine. With a topological polar surface area (TPSA) of 25.8 Ų, 5-Sec-butyl-2-chloro-3-methylpyrazine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Sec-butyl-2-chloro-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 5-Sec-butyl-2-chloro-3-methylpyrazine?
The CAS number of 5-Sec-butyl-2-chloro-3-methylpyrazine is 110823-75-1.
What is the molecular formula of 5-Sec-butyl-2-chloro-3-methylpyrazine?
The molecular formula of 5-Sec-butyl-2-chloro-3-methylpyrazine is C9H13ClN2.
What is the molecular weight of 5-Sec-butyl-2-chloro-3-methylpyrazine?
The molecular weight of 5-Sec-butyl-2-chloro-3-methylpyrazine is 184.08 g/mol.
Where can I buy 5-Sec-butyl-2-chloro-3-methylpyrazine?
You can request a quote for 5-Sec-butyl-2-chloro-3-methylpyrazine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Sec-butyl-2-chloro-3-methylpyrazine?
Yes, KEHONG BIO provides custom synthesis services for 5-Sec-butyl-2-chloro-3-methylpyrazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.