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Methyl [(imidazo[1,5-a]pyrazin-3-yl)sulfanyl]acetate
TL;DR: Methyl [(imidazo[1,5-a]pyrazin-3-yl)sulfanyl]acetate (CAS 56488-19-8) is a chemical compound with molecular formula C9H9N3O2S and molecular weight 223.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-imidazo[1,5-a]pyrazin-3-ylsulfanylacetate
Also Known As: methyl 2-imidazo[1,5-a]pyrazin-3-ylsulfanylacetate, Methyl [(imidazo[1,5-a]pyrazin-3-yl)sulfanyl]acetate, acetic acid,2-(imidazo[1,5-a]pyrazin-3-ylthio)-,methyl ester
| Molecular Formula | C9H9N3O2S |
|---|---|
| Molecular Weight | 223.04 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 81.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 223.04155 |
| Heavy Atoms | 15 |
| Complexity | 239.0 |
Chemical Identifiers
| CAS Number | 56488-19-8 |
|---|---|
| SMILES | COC(=O)CSC1=NC=C2N1C=CN=C2 |
| InChIKey | NXMWNQGEFMOXJD-UHFFFAOYSA-N |
Product Overview
Methyl [(imidazo[1,5-a]pyrazin-3-yl)sulfanyl]acetate (CAS 56488-19-8), with molecular formula C9H9N3O2S and molecular weight 223.04 g/mol. IUPAC: methyl 2-imidazo[1,5-a]pyrazin-3-ylsulfanylacetate.
Chemical Property Profile of Methyl [(imidazo[1,5-a]pyrazin-3-yl)sulfanyl]acetate
Property Insights of Methyl [(imidazo[1,5-a]pyrazin-3-yl)sulfanyl]acetate
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl [(imidazo[1,5-a]pyrazin-3-yl)sulfanyl]acetate. The TPSA of 81.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl [(imidazo[1,5-a]pyrazin-3-yl)sulfanyl]acetate. Following Lipinski's Rule of Five, Methyl [(imidazo[1,5-a]pyrazin-3-yl)sulfanyl]acetate has 0 hydrogen bond donor(s) and 5 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 Methyl [(imidazo[1,5-a]pyrazin-3-yl)sulfanyl]acetate?
The CAS number of Methyl [(imidazo[1,5-a]pyrazin-3-yl)sulfanyl]acetate is 56488-19-8.
What is the molecular formula of Methyl [(imidazo[1,5-a]pyrazin-3-yl)sulfanyl]acetate?
The molecular formula of Methyl [(imidazo[1,5-a]pyrazin-3-yl)sulfanyl]acetate is C9H9N3O2S.
What is the molecular weight of Methyl [(imidazo[1,5-a]pyrazin-3-yl)sulfanyl]acetate?
The molecular weight of Methyl [(imidazo[1,5-a]pyrazin-3-yl)sulfanyl]acetate is 223.04 g/mol.
Where can I buy Methyl [(imidazo[1,5-a]pyrazin-3-yl)sulfanyl]acetate?
You can request a quote for Methyl [(imidazo[1,5-a]pyrazin-3-yl)sulfanyl]acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl [(imidazo[1,5-a]pyrazin-3-yl)sulfanyl]acetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl [(imidazo[1,5-a]pyrazin-3-yl)sulfanyl]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.