Butyl 5-chloropyrazine-2-carboxylate
TL;DR: Butyl 5-chloropyrazine-2-carboxylate (CAS 169335-32-4) is a chemical compound with molecular formula C9H11ClN2O2 and molecular weight 214.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl 5-chloropyrazine-2-carboxylate
Also Known As: Butyl 5-chloropyrazine-2-carboxylate, Pyrazinoic acid ester deriv., Butyl 5-chloro-2-pyrazinecarboxylate, 5-Chloro-2-pyrazinecarboxylic acid butyl ester, N/A
| Molecular Formula | C9H11ClN2O2 |
|---|---|
| Molecular Weight | 214.05 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 52.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 214.0509 |
| Heavy Atoms | 14 |
| Complexity | 190.0 |
Chemical Identifiers
| CAS Number | 169335-32-4 |
|---|---|
| SMILES | CCCCOC(=O)C1=CN=C(C=N1)Cl |
| InChIKey | BKERBNJDMNZVQG-UHFFFAOYSA-N |
Product Overview
Butyl 5-chloropyrazine-2-carboxylate (CAS 169335-32-4), with molecular formula C9H11ClN2O2 and molecular weight 214.05 g/mol. IUPAC: butyl 5-chloropyrazine-2-carboxylate.
Chemical Property Profile of Butyl 5-chloropyrazine-2-carboxylate
Property Insights of Butyl 5-chloropyrazine-2-carboxylate
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butyl 5-chloropyrazine-2-carboxylate. With a topological polar surface area (TPSA) of 52.1 Ų, Butyl 5-chloropyrazine-2-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butyl 5-chloropyrazine-2-carboxylate has 0 hydrogen bond donor(s) and 4 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 Butyl 5-chloropyrazine-2-carboxylate?
The CAS number of Butyl 5-chloropyrazine-2-carboxylate is 169335-32-4.
What is the molecular formula of Butyl 5-chloropyrazine-2-carboxylate?
The molecular formula of Butyl 5-chloropyrazine-2-carboxylate is C9H11ClN2O2.
What is the molecular weight of Butyl 5-chloropyrazine-2-carboxylate?
The molecular weight of Butyl 5-chloropyrazine-2-carboxylate is 214.05 g/mol.
Where can I buy Butyl 5-chloropyrazine-2-carboxylate?
You can request a quote for Butyl 5-chloropyrazine-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butyl 5-chloropyrazine-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Butyl 5-chloropyrazine-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.