Selenazofurin-adenine dinucleotide
TL;DR: Selenazofurin-adenine dinucleotide (CAS 95754-63-5) is a chemical compound with molecular formula C19H25N7O14P2Se and molecular weight 717.01 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)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3S,4S,5R)-5-(4-carbamoyl-1,3-selenazol-2-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] hydrogen phosphate
Also Known As: Selenazofurin-adenine dinucleotide, Selenazofurin - adenine dinucleotide, 3-(4-(3-(Trifluoromethyl)-3H-diazirin-3-yl)phenyl)alanine, Adenosine 5'-(trihydrogen diphosphate), 5'-3'-ester with 2-beta-D-ribofuranosyl-4-selenazolecarboxamide, [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3S,4S,5R)-5-(4-carbamoyl-1,3-selenazol-2-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] hydrogen phosphate
| Molecular Formula | C19H25N7O14P2Se |
|---|---|
| Molecular Weight | 717.01 g/mol |
| LogP | -3.3089 |
| Topological Polar Surface Area | 327.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 19 |
| Rotatable Bonds | 11 |
| Exact Mass | 717.01 |
| Heavy Atoms | 43 |
| Complexity | 1120.0 |
Chemical Identifiers
| CAS Number | 95754-63-5 |
|---|---|
| SMILES | C1=C(N=C([Se]1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)OP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=NC5=C(N=CN=C54)N)O)O)O)C(=O)N |
| InChIKey | DZEDLQHBDYFNML-QZTLEVGFSA-N |
Product Overview
Selenazofurin-adenine dinucleotide (CAS 95754-63-5), with molecular formula C19H25N7O14P2Se and molecular weight 717.01 g/mol. IUPAC: [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3S,4S,5R)-5-(4-carbamoyl-1,3-selenazol-2-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] hydrogen phosphate.
Chemical Property Profile of Selenazofurin-adenine dinucleotide
Property Insights of Selenazofurin-adenine dinucleotide
The XLogP value of -3.3089 indicates that Selenazofurin-adenine dinucleotide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 327.0 Ų indicates high polarity, suggesting Selenazofurin-adenine dinucleotide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Selenazofurin-adenine dinucleotide has 8 hydrogen bond donor(s) and 19 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Selenazofurin-adenine dinucleotide?
The CAS number of Selenazofurin-adenine dinucleotide is 95754-63-5.
What is the molecular formula of Selenazofurin-adenine dinucleotide?
The molecular formula of Selenazofurin-adenine dinucleotide is C19H25N7O14P2Se.
What is the molecular weight of Selenazofurin-adenine dinucleotide?
The molecular weight of Selenazofurin-adenine dinucleotide is 717.01 g/mol.
Where can I buy Selenazofurin-adenine dinucleotide?
You can request a quote for Selenazofurin-adenine dinucleotide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Selenazofurin-adenine dinucleotide?
Yes, KEHONG BIO provides custom synthesis services for Selenazofurin-adenine dinucleotide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.