dansylamino deoxy-ATP
TL;DR: dansylamino deoxy-ATP (CAS 80214-45-5) is a chemical compound with molecular formula C22H28N7O14P3S and molecular weight 739.06 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-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
Also Known As: Dansylamino deoxy-ATP, Dns-ATP, Dansylamino deoxy-adenosine triphosphate, 2'-(5-Dimethylaminonaphthalene-1-sulfonyl)amino-2'-deoxy-ATP, (((2R,3S,4R,5R)-5-(6-Amino-9H-purin-9-yl)-4-(5-(dimethylamino)naphthalene-1-sulfonamido)-3-hydroxytetrahydrofuran-2-yl)methyl)triphosphoric acid
| Molecular Formula | C22H28N7O14P3S |
|---|---|
| Molecular Weight | 739.06 g/mol |
| LogP | -3.0 |
| Topological Polar Surface Area | 317.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 20 |
| Rotatable Bonds | 12 |
| Exact Mass | 739.0628 |
| Heavy Atoms | 47 |
| Complexity | 1370.0 |
Chemical Identifiers
| CAS Number | 80214-45-5 |
|---|---|
| SMILES | CN(C)C1=CC=CC2=C1C=CC=C2S(=O)(=O)N[C@@H]3[C@@H]([C@H](O[C@H]3N4C=NC5=C(N=CN=C54)N)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O |
| InChIKey | LJBBNUJRGFSTNW-YDVTWLGESA-N |
Product Overview
dansylamino deoxy-ATP (CAS 80214-45-5), with molecular formula C22H28N7O14P3S and molecular weight 739.06 g/mol. IUPAC: [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate.
Chemical Property Profile of dansylamino deoxy-ATP
Property Insights of dansylamino deoxy-ATP
The XLogP value of -3.0 indicates that dansylamino deoxy-ATP is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 317.0 Ų indicates high polarity, suggesting dansylamino deoxy-ATP may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, dansylamino deoxy-ATP has 7 hydrogen bond donor(s) and 20 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of dansylamino deoxy-ATP?
The CAS number of dansylamino deoxy-ATP is 80214-45-5.
What is the molecular formula of dansylamino deoxy-ATP?
The molecular formula of dansylamino deoxy-ATP is C22H28N7O14P3S.
What is the molecular weight of dansylamino deoxy-ATP?
The molecular weight of dansylamino deoxy-ATP is 739.06 g/mol.
Where can I buy dansylamino deoxy-ATP?
You can request a quote for dansylamino deoxy-ATP directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for dansylamino deoxy-ATP?
Yes, KEHONG BIO provides custom synthesis services for dansylamino deoxy-ATP and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.