3-Azi-1-((2-acetamido-2-deoxy-1-galactopyranosyl)thio)butane
TL;DR: 3-Azi-1-((2-acetamido-2-deoxy-1-galactopyranosyl)thio)butane (CAS 141411-40-7) is a chemical compound with molecular formula C12H21N3O5S and molecular weight 319.12018 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[(2S,3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[2-(3-methyldiazirin-3-yl)ethylsulfanyl]oxan-3-yl]acetamide
Also Known As: Aadgtb, 3-Aagtb, 3-Azi-1-((2-acetamido-2-deoxy-1-galactopyranosyl)thio)butane, 2-(3-Methyl-3H-diazirin-3-yl)ethyl 2-(acetylamino)-2-deoxy-1-thio-beta-D-galactopyranoside, N-[(2S,3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[2-(3-methyldiazirin-3-yl)ethylsulfanyl]oxan-3-yl]acetamide
Technical Specifications
| Molecular Formula | C12H21N3O5S |
| Molecular Weight | 319.12018 g/mol |
| XLogP | -0.6 |
| Topological Polar Surface Area (TPSA) | 149.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 319.12018 Da |
| Heavy Atoms | 21 |
| Complexity | 416.0 |
| SMILES | CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1SCCC2(N=N2)C)CO)O)O |
| InChIKey | GVRYUKXHWVTPHD-NZFPMDFQSA-N |
Chemical Property Profile of 3-Azi-1-((2-acetamido-2-deoxy-1-galactopyranosyl)thio)butane
Property Insights of 3-Azi-1-((2-acetamido-2-deoxy-1-galactopyranosyl)thio)butane
The XLogP value of -0.6 indicates that 3-Azi-1-((2-acetamido-2-deoxy-1-galactopyranosyl)thio)butane is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 149.0 Ų indicates high polarity, suggesting 3-Azi-1-((2-acetamido-2-deoxy-1-galactopyranosyl)thio)butane may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3-Azi-1-((2-acetamido-2-deoxy-1-galactopyranosyl)thio)butane has 4 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3-Azi-1-((2-acetamido-2-deoxy-1-galactopyranosyl)thio)butane?
The CAS number of 3-Azi-1-((2-acetamido-2-deoxy-1-galactopyranosyl)thio)butane is 141411-40-7.
What is the molecular formula of 3-Azi-1-((2-acetamido-2-deoxy-1-galactopyranosyl)thio)butane?
The molecular formula of 3-Azi-1-((2-acetamido-2-deoxy-1-galactopyranosyl)thio)butane is C12H21N3O5S.
What is the molecular weight of 3-Azi-1-((2-acetamido-2-deoxy-1-galactopyranosyl)thio)butane?
The molecular weight of 3-Azi-1-((2-acetamido-2-deoxy-1-galactopyranosyl)thio)butane is 319.12018 g/mol.
Where can I buy 3-Azi-1-((2-acetamido-2-deoxy-1-galactopyranosyl)thio)butane?
You can request a quote for 3-Azi-1-((2-acetamido-2-deoxy-1-galactopyranosyl)thio)butane directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Azi-1-((2-acetamido-2-deoxy-1-galactopyranosyl)thio)butane?
Yes, CoreyChem provides custom synthesis services for 3-Azi-1-((2-acetamido-2-deoxy-1-galactopyranosyl)thio)butane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.