5-Chloro-pyrazine-2-carboxylic acid isobutyl ester
TL;DR: 5-Chloro-pyrazine-2-carboxylic acid isobutyl ester (CAS 169335-49-3) 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.
2-methylpropyl 5-chloropyrazine-2-carboxylate
Also Known As: Pyrazinoic acid ester deriv., 5-Chloro-pyrazine-2-carboxylic acid isobutyl ester, 2-methylpropyl 5-chloropyrazine-2-carboxylate, Isobutyl 5-chloropyrazine-2-carboxylate, 5-Chloro-pyrazine-2-carboxylicacidisobutylester
| Molecular Formula | C9H11ClN2O2 |
|---|---|
| Molecular Weight | 214.05 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 52.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 214.0509 |
| Heavy Atoms | 14 |
| Complexity | 199.0 |
Chemical Identifiers
| CAS Number | 169335-49-3 |
|---|---|
| SMILES | CC(C)COC(=O)C1=CN=C(C=N1)Cl |
| InChIKey | OFWXMCXGANWSRI-UHFFFAOYSA-N |
Product Overview
5-Chloro-pyrazine-2-carboxylic acid isobutyl ester (CAS 169335-49-3), with molecular formula C9H11ClN2O2 and molecular weight 214.05 g/mol. IUPAC: 2-methylpropyl 5-chloropyrazine-2-carboxylate.
Chemical Property Profile of 5-Chloro-pyrazine-2-carboxylic acid isobutyl ester
Property Insights of 5-Chloro-pyrazine-2-carboxylic acid isobutyl ester
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Chloro-pyrazine-2-carboxylic acid isobutyl ester. With a topological polar surface area (TPSA) of 52.1 Ų, 5-Chloro-pyrazine-2-carboxylic acid isobutyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Chloro-pyrazine-2-carboxylic acid isobutyl ester 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 5-Chloro-pyrazine-2-carboxylic acid isobutyl ester?
The CAS number of 5-Chloro-pyrazine-2-carboxylic acid isobutyl ester is 169335-49-3.
What is the molecular formula of 5-Chloro-pyrazine-2-carboxylic acid isobutyl ester?
The molecular formula of 5-Chloro-pyrazine-2-carboxylic acid isobutyl ester is C9H11ClN2O2.
What is the molecular weight of 5-Chloro-pyrazine-2-carboxylic acid isobutyl ester?
The molecular weight of 5-Chloro-pyrazine-2-carboxylic acid isobutyl ester is 214.05 g/mol.
Where can I buy 5-Chloro-pyrazine-2-carboxylic acid isobutyl ester?
You can request a quote for 5-Chloro-pyrazine-2-carboxylic acid isobutyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Chloro-pyrazine-2-carboxylic acid isobutyl ester?
Yes, KEHONG BIO provides custom synthesis services for 5-Chloro-pyrazine-2-carboxylic acid isobutyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.