1H-Imidazolium, 1-(2-((2R,4S)-4-(((4R,5S,6S)-2-carboxy-6-((1R)-1-hydroxyethyl)-4-methyl-7-oxo-1-azabicyclo(3.2.0)hept-2-en-3-yl)thio)-2-pyrrolidinyl)ethyl)-3-methyl-, chloride
TL;DR: 1H-Imidazolium, 1-(2-((2R,4S)-4-(((4R,5S,6S)-2-carboxy-6-((1R)-1-hydroxyethyl)-4-methyl-7-oxo-1-azabicyclo(3.2.0)hept-2-en-3-yl)thio)-2-pyrrolidinyl)ethyl)-3-methyl-, chloride (CAS 156443-34-4) is a chemical compound with molecular formula C20H29ClN4O4S and molecular weight 456.1598 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(4R,5S,6S)-6-[(1R)-1-hydroxyethyl]-4-methyl-3-[(3S,5R)-5-[2-(3-methylimidazol-3-ium-1-yl)ethyl]pyrrolidin-3-yl]sulfanyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid chloride
Also Known As: 1H-Imidazolium, 1-(2-((2R,4S)-4-(((4R,5S,6S)-2-carboxy-6-((1R)-1-hydroxyethyl)-4-methyl-7-oxo-1-azabicyclo(3.2.0)hept-2-en-3-yl)thio)-2-pyrrolidinyl)ethyl)-3-methyl-, chloride, 1H-Imidazolium, 3-(2-((2R,4S)-4-(((4R,5S,6S)-2-carboxy-6-((1R)-1-hydroxyethyl)-4-methyl-7-oxo-1-azabicyclo(3.2.0)hept-2-en-3-yl)thio)-2-pyrrolidinyl)ethyl)-1-methyl-, chloride (1:1), 1H-Imidazolium, 1-(2-(4-((2-carboxy-6-(1-hydroxyethyl)-4-methyl-7-oxo-1-azabicyclo(3.2.0)hept-2-en-3-yl)thio)-2-pyrrolidinyl)ethyl)-3-methyl-, chloride, (4R-(3(2R*,4S*),4alpha,5beta,6beta(R*)))-, 1H-IMIDAZOLIUM, 1-(2-(4-((2-CARBOXY-6-(1-HYDROXYETHYL)-4-METHYL-7-OXO-1-AZABICYCLO(3.2.0)HEPT-2-EN-3-YL)THIO)-2-PYRROLIDINYL)ETHYL)-3-METHYL-, CHLORIDE, (4R-(3(2R*,4S*),4.ALPHA.,5.BETA.,6.BETA.(R*)))-
Technical Specifications
| Molecular Formula | C20H29ClN4O4S |
| Molecular Weight | 456.1598 g/mol |
| XLogP | -2.6759 |
| Topological Polar Surface Area (TPSA) | 124.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 456.1598 Da |
| Heavy Atoms | 30 |
| Complexity | 717.0 |
| SMILES | C[C@@H]1[C@@H]2[C@H](C(=O)N2C(=C1S[C@H]3C[C@H](NC3)CCN4C=C[N+](=C4)C)C(=O)O)[C@@H](C)O.[Cl-] |
| InChIKey | HIDJUWQZUFUZTP-RALWWNRDSA-N |
Chemical Property Profile of 1H-Imidazolium, 1-(2-((2R,4S)-4-(((4R,5S,6S)-2-carboxy-6-((1R)-1-hydroxyethyl)-4-methyl-7-oxo-1-azabicyclo(3.2.0)hept-2-en-3-yl)thio)-2-pyrrolidinyl)ethyl)-3-methyl-, chloride
Property Insights of 1H-Imidazolium, 1-(2-((2R,4S)-4-(((4R,5S,6S)-2-carboxy-6-((1R)-1-hydroxyethyl)-4-methyl-7-oxo-1-azabicyclo(3.2.0)hept-2-en-3-yl)thio)-2-pyrrolidinyl)ethyl)-3-methyl-, chloride
The XLogP value of -2.6759 indicates that 1H-Imidazolium, 1-(2-((2R,4S)-4-(((4R,5S,6S)-2-carboxy-6-((1R)-1-hydroxyethyl)-4-methyl-7-oxo-1-azabicyclo(3.2.0)hept-2-en-3-yl)thio)-2-pyrrolidinyl)ethyl)-3-methyl-, chloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 124.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-Imidazolium, 1-(2-((2R,4S)-4-(((4R,5S,6S)-2-carboxy-6-((1R)-1-hydroxyethyl)-4-methyl-7-oxo-1-azabicyclo(3.2.0)hept-2-en-3-yl)thio)-2-pyrrolidinyl)ethyl)-3-methyl-, chloride. Following Lipinski's Rule of Five, 1H-Imidazolium, 1-(2-((2R,4S)-4-(((4R,5S,6S)-2-carboxy-6-((1R)-1-hydroxyethyl)-4-methyl-7-oxo-1-azabicyclo(3.2.0)hept-2-en-3-yl)thio)-2-pyrrolidinyl)ethyl)-3-methyl-, chloride has 3 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1H-Imidazolium, 1-(2-((2R,4S)-4-(((4R,5S,6S)-2-carboxy-6-((1R)-1-hydroxyethyl)-4-methyl-7-oxo-1-azabicyclo(3.2.0)hept-2-en-3-yl)thio)-2-pyrrolidinyl)ethyl)-3-methyl-, chloride?
The CAS number of 1H-Imidazolium, 1-(2-((2R,4S)-4-(((4R,5S,6S)-2-carboxy-6-((1R)-1-hydroxyethyl)-4-methyl-7-oxo-1-azabicyclo(3.2.0)hept-2-en-3-yl)thio)-2-pyrrolidinyl)ethyl)-3-methyl-, chloride is 156443-34-4.
What is the molecular formula of 1H-Imidazolium, 1-(2-((2R,4S)-4-(((4R,5S,6S)-2-carboxy-6-((1R)-1-hydroxyethyl)-4-methyl-7-oxo-1-azabicyclo(3.2.0)hept-2-en-3-yl)thio)-2-pyrrolidinyl)ethyl)-3-methyl-, chloride?
The molecular formula of 1H-Imidazolium, 1-(2-((2R,4S)-4-(((4R,5S,6S)-2-carboxy-6-((1R)-1-hydroxyethyl)-4-methyl-7-oxo-1-azabicyclo(3.2.0)hept-2-en-3-yl)thio)-2-pyrrolidinyl)ethyl)-3-methyl-, chloride is C20H29ClN4O4S.
What is the molecular weight of 1H-Imidazolium, 1-(2-((2R,4S)-4-(((4R,5S,6S)-2-carboxy-6-((1R)-1-hydroxyethyl)-4-methyl-7-oxo-1-azabicyclo(3.2.0)hept-2-en-3-yl)thio)-2-pyrrolidinyl)ethyl)-3-methyl-, chloride?
The molecular weight of 1H-Imidazolium, 1-(2-((2R,4S)-4-(((4R,5S,6S)-2-carboxy-6-((1R)-1-hydroxyethyl)-4-methyl-7-oxo-1-azabicyclo(3.2.0)hept-2-en-3-yl)thio)-2-pyrrolidinyl)ethyl)-3-methyl-, chloride is 456.1598 g/mol.
Where can I buy 1H-Imidazolium, 1-(2-((2R,4S)-4-(((4R,5S,6S)-2-carboxy-6-((1R)-1-hydroxyethyl)-4-methyl-7-oxo-1-azabicyclo(3.2.0)hept-2-en-3-yl)thio)-2-pyrrolidinyl)ethyl)-3-methyl-, chloride?
You can request a quote for 1H-Imidazolium, 1-(2-((2R,4S)-4-(((4R,5S,6S)-2-carboxy-6-((1R)-1-hydroxyethyl)-4-methyl-7-oxo-1-azabicyclo(3.2.0)hept-2-en-3-yl)thio)-2-pyrrolidinyl)ethyl)-3-methyl-, chloride directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1H-Imidazolium, 1-(2-((2R,4S)-4-(((4R,5S,6S)-2-carboxy-6-((1R)-1-hydroxyethyl)-4-methyl-7-oxo-1-azabicyclo(3.2.0)hept-2-en-3-yl)thio)-2-pyrrolidinyl)ethyl)-3-methyl-, chloride?
Yes, CoreyChem provides custom synthesis services for 1H-Imidazolium, 1-(2-((2R,4S)-4-(((4R,5S,6S)-2-carboxy-6-((1R)-1-hydroxyethyl)-4-methyl-7-oxo-1-azabicyclo(3.2.0)hept-2-en-3-yl)thio)-2-pyrrolidinyl)ethyl)-3-methyl-, chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.