Imidazo(5,1-b)thiazolium, 6-(2-amino-2-oxoethyl)-2-((4S,5R,6S)-2-carboxy-6-((1R)-1-hydroxyethyl)-4-methyl-7-oxo-1-azabicyclo(3.2.0)hept-2-en-3-yl)-7-(methylthio)-, inner salt
TL;DR: Imidazo(5,1-b)thiazolium, 6-(2-amino-2-oxoethyl)-2-((4S,5R,6S)-2-carboxy-6-((1R)-1-hydroxyethyl)-4-methyl-7-oxo-1-azabicyclo(3.2.0)hept-2-en-3-yl)-7-(methylthio)-, inner salt (CAS 396716-14-6) is a chemical compound with molecular formula C18H20N4O5S2 and molecular weight 436.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4S,5R,6S)-3-[6-(2-amino-2-oxoethyl)-7-methylsulfanylimidazo[5,1-b][1,3]thiazol-6-ium-2-yl]-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate
Also Known As: Imidazo(5,1-b)thiazolium, 6-(2-amino-2-oxoethyl)-2-((4S,5R,6S)-2-carboxy-6-((1R)-1-hydroxyethyl)-4-methyl-7-oxo-1-azabicyclo(3.2.0)hept-2-en-3-yl)-7-(methylthio)-, inner salt, J1.606.262F, DABCYL-TNF-alpha-EDANS (-4 to +6) (human) trifluoroacetate salt, (4S,5R,6S)-3-[6-(2-amino-2-oxoethyl)-7-methylsulfanylimidazo[5,1-b][1,3]thiazol-6-ium-2-yl]-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate, (4S,5R,6S)-3-[6-(2-amino-2-oxo-ethyl)-7-methylsulfanyl-imidazo[5,1-b]thiazol-6-ium-2-yl]-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate
| Molecular Formula | C18H20N4O5S2 |
|---|---|
| Molecular Weight | 436.09 g/mol |
| LogP | -1.186 |
| Topological Polar Surface Area | 132.05 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 436.08752 |
| Heavy Atoms | 29 |
| Complexity | 1085.6241 |
Chemical Identifiers
| CAS Number | 396716-14-6 |
|---|---|
| SMILES | C[C@@H]1[C@@H]2[C@H](C(=O)N2C(=C1C3=CN4C=[N+](C(=C4S3)SC)CC(=O)N)C(=O)[O-])[C@@H](C)O |
Product Overview
Imidazo(5,1-b)thiazolium, 6-(2-amino-2-oxoethyl)-2-((4S,5R,6S)-2-carboxy-6-((1R)-1-hydroxyethyl)-4-methyl-7-oxo-1-azabicyclo(3.2.0)hept-2-en-3-yl)-7-(methylthio)-, inner salt (CAS 396716-14-6), with molecular formula C18H20N4O5S2 and molecular weight 436.09 g/mol. IUPAC: (4S,5R,6S)-3-[6-(2-amino-2-oxoethyl)-7-methylsulfanylimidazo[5,1-b][1,3]thiazol-6-ium-2-yl]-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate.
Chemical Property Profile of Imidazo(5,1-b)thiazolium, 6-(2-amino-2-oxoethyl)-2-((4S,5R,6S)-2-carboxy-6-((1R)-1-hydroxyethyl)-4-methyl-7-oxo-1-azabicyclo(3.2.0)hept-2-en-3-yl)-7-(methylthio)-, inner salt
Property Insights of Imidazo(5,1-b)thiazolium, 6-(2-amino-2-oxoethyl)-2-((4S,5R,6S)-2-carboxy-6-((1R)-1-hydroxyethyl)-4-methyl-7-oxo-1-azabicyclo(3.2.0)hept-2-en-3-yl)-7-(methylthio)-, inner salt
The XLogP value of -1.186 indicates that Imidazo(5,1-b)thiazolium, 6-(2-amino-2-oxoethyl)-2-((4S,5R,6S)-2-carboxy-6-((1R)-1-hydroxyethyl)-4-methyl-7-oxo-1-azabicyclo(3.2.0)hept-2-en-3-yl)-7-(methylthio)-, inner salt is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 132.05 Ų falls within the moderate polarity range, balancing permeability and solubility for Imidazo(5,1-b)thiazolium, 6-(2-amino-2-oxoethyl)-2-((4S,5R,6S)-2-carboxy-6-((1R)-1-hydroxyethyl)-4-methyl-7-oxo-1-azabicyclo(3.2.0)hept-2-en-3-yl)-7-(methylthio)-, inner salt. Following Lipinski's Rule of Five, Imidazo(5,1-b)thiazolium, 6-(2-amino-2-oxoethyl)-2-((4S,5R,6S)-2-carboxy-6-((1R)-1-hydroxyethyl)-4-methyl-7-oxo-1-azabicyclo(3.2.0)hept-2-en-3-yl)-7-(methylthio)-, inner salt has 2 hydrogen bond donor(s) and 7 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 Imidazo(5,1-b)thiazolium, 6-(2-amino-2-oxoethyl)-2-((4S,5R,6S)-2-carboxy-6-((1R)-1-hydroxyethyl)-4-methyl-7-oxo-1-azabicyclo(3.2.0)hept-2-en-3-yl)-7-(methylthio)-, inner salt?
The CAS number of Imidazo(5,1-b)thiazolium, 6-(2-amino-2-oxoethyl)-2-((4S,5R,6S)-2-carboxy-6-((1R)-1-hydroxyethyl)-4-methyl-7-oxo-1-azabicyclo(3.2.0)hept-2-en-3-yl)-7-(methylthio)-, inner salt is 396716-14-6.
What is the molecular formula of Imidazo(5,1-b)thiazolium, 6-(2-amino-2-oxoethyl)-2-((4S,5R,6S)-2-carboxy-6-((1R)-1-hydroxyethyl)-4-methyl-7-oxo-1-azabicyclo(3.2.0)hept-2-en-3-yl)-7-(methylthio)-, inner salt?
The molecular formula of Imidazo(5,1-b)thiazolium, 6-(2-amino-2-oxoethyl)-2-((4S,5R,6S)-2-carboxy-6-((1R)-1-hydroxyethyl)-4-methyl-7-oxo-1-azabicyclo(3.2.0)hept-2-en-3-yl)-7-(methylthio)-, inner salt is C18H20N4O5S2.
What is the molecular weight of Imidazo(5,1-b)thiazolium, 6-(2-amino-2-oxoethyl)-2-((4S,5R,6S)-2-carboxy-6-((1R)-1-hydroxyethyl)-4-methyl-7-oxo-1-azabicyclo(3.2.0)hept-2-en-3-yl)-7-(methylthio)-, inner salt?
The molecular weight of Imidazo(5,1-b)thiazolium, 6-(2-amino-2-oxoethyl)-2-((4S,5R,6S)-2-carboxy-6-((1R)-1-hydroxyethyl)-4-methyl-7-oxo-1-azabicyclo(3.2.0)hept-2-en-3-yl)-7-(methylthio)-, inner salt is 436.09 g/mol.
Where can I buy Imidazo(5,1-b)thiazolium, 6-(2-amino-2-oxoethyl)-2-((4S,5R,6S)-2-carboxy-6-((1R)-1-hydroxyethyl)-4-methyl-7-oxo-1-azabicyclo(3.2.0)hept-2-en-3-yl)-7-(methylthio)-, inner salt?
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Does KEHONG BIO offer custom synthesis for Imidazo(5,1-b)thiazolium, 6-(2-amino-2-oxoethyl)-2-((4S,5R,6S)-2-carboxy-6-((1R)-1-hydroxyethyl)-4-methyl-7-oxo-1-azabicyclo(3.2.0)hept-2-en-3-yl)-7-(methylthio)-, inner salt?
Yes, KEHONG BIO provides custom synthesis services for Imidazo(5,1-b)thiazolium, 6-(2-amino-2-oxoethyl)-2-((4S,5R,6S)-2-carboxy-6-((1R)-1-hydroxyethyl)-4-methyl-7-oxo-1-azabicyclo(3.2.0)hept-2-en-3-yl)-7-(methylthio)-, inner salt and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.