JR522
TL;DR: JR522 (CAS 164178-39-6) is a chemical compound with molecular formula C14H23N3O10S and molecular weight 425.1104 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S,3S,4S,5R,6S)-6-[[[(Z)-[2-(dimethylamino)-1-methylsulfanyl-2-oxoethylidene]amino]oxycarbonyl-methylamino]methoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
Also Known As: JR522, JR 522, (2S,3S,4S,5R,6S)-6-[[[(Z)-[2-(dimethylamino)-1-methylsulfanyl-2-oxoethylidene]amino]oxycarbonyl-methylamino]methoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid, (2S,3S,4S,5R,6S)-6-{[3-(dimethylcarbamoyl)-6-oxo-5-oxa-2-thia-4,7-diazaoct-3-en-7-yl]methoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid, [[[[[2-(Dimethylamino)-1-(methylthio)-2-oxoethylidene]amino]oxy]carbonyl](methyl)amino]methyl beta-D-glucopyranosiduronic acid
Technical Specifications
| Molecular Formula | C14H23N3O10S |
| Molecular Weight | 425.1104 g/mol |
| XLogP | -1.0 |
| Topological Polar Surface Area (TPSA) | 204.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 8 |
| Exact Mass | 425.1104 Da |
| Heavy Atoms | 28 |
| Complexity | 616.0 |
| SMILES | CN(C)C(=O)/C(=N/OC(=O)N(C)CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)C(=O)O)O)O)O)/SC |
| InChIKey | LEBFRGDNGBNXOE-XDAAVOPZSA-N |
Chemical Property Profile of JR522
Property Insights of JR522
The XLogP value of -1.0 indicates that JR522 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 204.0 Ų indicates high polarity, suggesting JR522 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, JR522 has 4 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of JR522?
The CAS number of JR522 is 164178-39-6.
What is the molecular formula of JR522?
The molecular formula of JR522 is C14H23N3O10S.
What is the molecular weight of JR522?
The molecular weight of JR522 is 425.1104 g/mol.
Where can I buy JR522?
You can request a quote for JR522 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for JR522?
Yes, CoreyChem provides custom synthesis services for JR522 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.