![Coumarine, 3-[2-(1-methyl-2-imidazolylthio)-1-oxoethyl]- structure](/static/products/383/383152-05-4.png)
Coumarine, 3-[2-(1-methyl-2-imidazolylthio)-1-oxoethyl]-
TL;DR: Coumarine, 3-[2-(1-methyl-2-imidazolylthio)-1-oxoethyl]- (CAS 383152-05-4) is a chemical compound with molecular formula C15H12N2O3S and molecular weight 300.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2-(1-methylimidazol-2-yl)sulfanylacetyl]chromen-2-one
Also Known As: 3-[2-(1-methylimidazol-2-yl)sulfanylacetyl]chromen-2-one, Coumarine, 3-[2-(1-methyl-2-imidazolylthio)-1-oxoethyl]-, 3-[2-(1-methylimidazol-2-ylthio)acetyl]chromen-2-one, 3-(2-((1-methyl-1H-imidazol-2-yl)thio)acetyl)-2H-chromen-2-one, A2094/0087999
| Molecular Formula | C15H12N2O3S |
|---|---|
| Molecular Weight | 300.06 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 86.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 300.05685 |
| Heavy Atoms | 21 |
| Complexity | 466.0 |
Chemical Identifiers
| CAS Number | 383152-05-4 |
|---|---|
| SMILES | CN1C=CN=C1SCC(=O)C2=CC3=CC=CC=C3OC2=O |
| InChIKey | ZSSATGXJPVNFII-UHFFFAOYSA-N |
Product Overview
Coumarine, 3-[2-(1-methyl-2-imidazolylthio)-1-oxoethyl]- (CAS 383152-05-4), with molecular formula C15H12N2O3S and molecular weight 300.06 g/mol. IUPAC: 3-[2-(1-methylimidazol-2-yl)sulfanylacetyl]chromen-2-one.
Chemical Property Profile of Coumarine, 3-[2-(1-methyl-2-imidazolylthio)-1-oxoethyl]-
Property Insights of Coumarine, 3-[2-(1-methyl-2-imidazolylthio)-1-oxoethyl]-
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Coumarine, 3-[2-(1-methyl-2-imidazolylthio)-1-oxoethyl]-. The TPSA of 86.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Coumarine, 3-[2-(1-methyl-2-imidazolylthio)-1-oxoethyl]-. Following Lipinski's Rule of Five, Coumarine, 3-[2-(1-methyl-2-imidazolylthio)-1-oxoethyl]- 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 Coumarine, 3-[2-(1-methyl-2-imidazolylthio)-1-oxoethyl]-?
The CAS number of Coumarine, 3-[2-(1-methyl-2-imidazolylthio)-1-oxoethyl]- is 383152-05-4.
What is the molecular formula of Coumarine, 3-[2-(1-methyl-2-imidazolylthio)-1-oxoethyl]-?
The molecular formula of Coumarine, 3-[2-(1-methyl-2-imidazolylthio)-1-oxoethyl]- is C15H12N2O3S.
What is the molecular weight of Coumarine, 3-[2-(1-methyl-2-imidazolylthio)-1-oxoethyl]-?
The molecular weight of Coumarine, 3-[2-(1-methyl-2-imidazolylthio)-1-oxoethyl]- is 300.06 g/mol.
Where can I buy Coumarine, 3-[2-(1-methyl-2-imidazolylthio)-1-oxoethyl]-?
You can request a quote for Coumarine, 3-[2-(1-methyl-2-imidazolylthio)-1-oxoethyl]- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Coumarine, 3-[2-(1-methyl-2-imidazolylthio)-1-oxoethyl]-?
Yes, KEHONG BIO provides custom synthesis services for Coumarine, 3-[2-(1-methyl-2-imidazolylthio)-1-oxoethyl]- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.