3'-O-Dansyladenosine
TL;DR: 3'-O-Dansyladenosine (CAS 77446-71-0) is a chemical compound with molecular formula C22H24N6O6S and molecular weight 500.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] 5-(dimethylamino)naphthalene-1-sulfonate
Also Known As: 3'-O-Dansyladenosine, 3'-O-(5-(Dimethylamino)naphthalene-1-sulfonyl)adenosine, Adenosine, 3'-(5-(dimethylamino)-1-naphthalenesulfonate), 3'-O-[5-(Dimethylamino)naphthalene-1-sulfonyl]adenosine, [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] 5-(dimethylamino)naphthalene-1-sulfonate
| Molecular Formula | C22H24N6O6S |
|---|---|
| Molecular Weight | 500.15 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 174.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 6 |
| Exact Mass | 500.1478 |
| Heavy Atoms | 35 |
| Complexity | 845.0 |
Chemical Identifiers
| CAS Number | 77446-71-0 |
|---|---|
| SMILES | CN(C)C1=CC=CC2=C1C=CC=C2S(=O)(=O)O[C@@H]3[C@H](O[C@H]([C@@H]3O)N4C=NC5=C(N=CN=C54)N)CO |
| InChIKey | PFVOMAIBZGSHNC-CIVUBGFFSA-N |
Product Overview
3'-O-Dansyladenosine (CAS 77446-71-0), with molecular formula C22H24N6O6S and molecular weight 500.15 g/mol. IUPAC: [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] 5-(dimethylamino)naphthalene-1-sulfonate.
Chemical Property Profile of 3'-O-Dansyladenosine
Property Insights of 3'-O-Dansyladenosine
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3'-O-Dansyladenosine. The TPSA of 174.0 Ų indicates high polarity, suggesting 3'-O-Dansyladenosine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3'-O-Dansyladenosine has 3 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 3'-O-Dansyladenosine?
The CAS number of 3'-O-Dansyladenosine is 77446-71-0.
What is the molecular formula of 3'-O-Dansyladenosine?
The molecular formula of 3'-O-Dansyladenosine is C22H24N6O6S.
What is the molecular weight of 3'-O-Dansyladenosine?
The molecular weight of 3'-O-Dansyladenosine is 500.15 g/mol.
Where can I buy 3'-O-Dansyladenosine?
You can request a quote for 3'-O-Dansyladenosine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3'-O-Dansyladenosine?
Yes, KEHONG BIO provides custom synthesis services for 3'-O-Dansyladenosine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.