Dansyl-NECA
TL;DR: Dansyl-NECA (CAS 219982-12-4) is a chemical compound with molecular formula C30H40N8O6S and molecular weight 640.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3S,4R,5R)-5-[6-[6-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]hexylamino]purin-9-yl]-N-ethyl-3,4-dihydroxyoxolane-2-carboxamide
Also Known As: Dansyl-NECA, Dansylhexyl NECA, 9-[(2R,5S)-5-(ethylcarbamoyl)-2,5-dihydrofuran-2-yl]-6-[6-(s, (2S,3S,4R,5R)-5-(6-((6-((5-(dimethylamino)naphthalene)-1-sulfonamido)hexyl)amino)-9H-purin-9-yl)-N-ethyl-3,4-dihydroxytetrahydrofuran-2-carboxamide, (2S,3S,4R,5R)-5-(6-((6-(5-(Dimethylamino)naphthalene-1-sulfonamido)hexyl)amino)-9H-purin-9-yl)-N-ethyl-3,4-dihydroxytetrahydrofuran-2-carboxamide
| Molecular Formula | C30H40N8O6S |
|---|---|
| Molecular Weight | 640.28 g/mol |
| LogP | 1.7516 |
| Topological Polar Surface Area | 183.83 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 14 |
| Exact Mass | 640.2792 |
| Heavy Atoms | 45 |
| Complexity | 1747.1373 |
Chemical Identifiers
| CAS Number | 219982-12-4 |
|---|---|
| SMILES | CCNC(=O)[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)NCCCCCCNS(=O)(=O)C4=CC=CC5=C4C=CC=C5N(C)C)O)O |
Product Overview
Dansyl-NECA (CAS 219982-12-4), with molecular formula C30H40N8O6S and molecular weight 640.28 g/mol. IUPAC: (2S,3S,4R,5R)-5-[6-[6-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]hexylamino]purin-9-yl]-N-ethyl-3,4-dihydroxyoxolane-2-carboxamide.
Chemical Property Profile of Dansyl-NECA
Property Insights of Dansyl-NECA
The XLogP value of 1.7516 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dansyl-NECA. The TPSA of 183.83 Ų indicates high polarity, suggesting Dansyl-NECA may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Dansyl-NECA has 5 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 Dansyl-NECA?
The CAS number of Dansyl-NECA is 219982-12-4.
What is the molecular formula of Dansyl-NECA?
The molecular formula of Dansyl-NECA is C30H40N8O6S.
What is the molecular weight of Dansyl-NECA?
The molecular weight of Dansyl-NECA is 640.28 g/mol.
Where can I buy Dansyl-NECA?
You can request a quote for Dansyl-NECA directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dansyl-NECA?
Yes, KEHONG BIO provides custom synthesis services for Dansyl-NECA and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.