2-(N-dansyl-4-aminophenylthio)-N-acetyl-9-O-acetylneuraminic acid
TL;DR: 2-(N-dansyl-4-aminophenylthio)-N-acetyl-9-O-acetylneuraminic acid (CAS 141303-70-0) is a chemical compound with molecular formula C29H35N3O10S2 and molecular weight 649.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,4S,5R,6R)-5-acetamido-2-[4-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]phenyl]sulfanyl-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
Also Known As: Dansyl-apta-ner, 2-(N-Dansyl-4-aminophenylthio)-N-acetyl-9-O-acetylneuraminic acid, (2S,4S,5R,6R)-5-acetamido-2-[4-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]phenyl]sulfanyl-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid, D-glycero-alpha-D-galacto-2-Nonulopyranosidonic acid, 4-(((5-(dimethylamino)-1-naphthalenyl)sulfonyl)amino)phenyl 5-(acetylamino)-3,5-dideoxy-2-thio-, (2S,4S,5R,6R)-5-acetamido-2-[4-[(5-dimethylaminonaphthalen-1-yl)sulfon ylamino]phenyl]sulfanyl-4-hyd
| Molecular Formula | C29H35N3O10S2 |
|---|---|
| Molecular Weight | 649.18 g/mol |
| LogP | 0.9482 |
| Topological Polar Surface Area | 205.96 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 11 |
| Exact Mass | 649.1764 |
| Heavy Atoms | 44 |
| Complexity | 1619.3817 |
Chemical Identifiers
| CAS Number | 141303-70-0 |
|---|---|
| SMILES | CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)SC2=CC=C(C=C2)NS(=O)(=O)C3=CC=CC4=C3C=CC=C4N(C)C)O |
Product Overview
2-(N-dansyl-4-aminophenylthio)-N-acetyl-9-O-acetylneuraminic acid (CAS 141303-70-0), with molecular formula C29H35N3O10S2 and molecular weight 649.18 g/mol. IUPAC: (2S,4S,5R,6R)-5-acetamido-2-[4-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]phenyl]sulfanyl-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid.
Chemical Property Profile of 2-(N-dansyl-4-aminophenylthio)-N-acetyl-9-O-acetylneuraminic acid
Property Insights of 2-(N-dansyl-4-aminophenylthio)-N-acetyl-9-O-acetylneuraminic acid
The XLogP value of 0.9482 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(N-dansyl-4-aminophenylthio)-N-acetyl-9-O-acetylneuraminic acid. The TPSA of 205.96 Ų indicates high polarity, suggesting 2-(N-dansyl-4-aminophenylthio)-N-acetyl-9-O-acetylneuraminic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-(N-dansyl-4-aminophenylthio)-N-acetyl-9-O-acetylneuraminic acid has 7 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-(N-dansyl-4-aminophenylthio)-N-acetyl-9-O-acetylneuraminic acid?
The CAS number of 2-(N-dansyl-4-aminophenylthio)-N-acetyl-9-O-acetylneuraminic acid is 141303-70-0.
What is the molecular formula of 2-(N-dansyl-4-aminophenylthio)-N-acetyl-9-O-acetylneuraminic acid?
The molecular formula of 2-(N-dansyl-4-aminophenylthio)-N-acetyl-9-O-acetylneuraminic acid is C29H35N3O10S2.
What is the molecular weight of 2-(N-dansyl-4-aminophenylthio)-N-acetyl-9-O-acetylneuraminic acid?
The molecular weight of 2-(N-dansyl-4-aminophenylthio)-N-acetyl-9-O-acetylneuraminic acid is 649.18 g/mol.
Where can I buy 2-(N-dansyl-4-aminophenylthio)-N-acetyl-9-O-acetylneuraminic acid?
You can request a quote for 2-(N-dansyl-4-aminophenylthio)-N-acetyl-9-O-acetylneuraminic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(N-dansyl-4-aminophenylthio)-N-acetyl-9-O-acetylneuraminic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(N-dansyl-4-aminophenylthio)-N-acetyl-9-O-acetylneuraminic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.