Isonicotinoylhydrazide adenine dinucleotide
TL;DR: Isonicotinoylhydrazide adenine dinucleotide (CAS 6952-12-1) is a chemical compound with molecular formula C21H28N8O14P2 and molecular weight 678.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R,3R,4S,5R)-5-[[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxymethyl]-2-[4-(hydrazinecarbonyl)pyridin-1-ium-1-yl]-4-hydroxyoxolan-3-olate
Also Known As: Isonicotinoylhydrazide adenine dinucleotide, KST-1A0278, (2R,3R,4S,5R)-5-[[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxymethyl]-2-[4-(hydrazinecarbonyl)pyridin-1-ium-1-yl]-4-hydroxyoxolan-3-olate, (2r,3r,4r,5r)-5-({[{[{[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}methyl)-2-[4-(hydrazinylcarbonyl)pyridinium-1-yl]-4-hydroxytetrahydrofuran-3-olate(non-preferred name), adenosine 5'-(trihydrogen diphosphate) 5'-5'-esterwith 4-(hydrazinocarbonyl)-1-beta-D-ribofuranosyl pyridinum hydroxide, inner salt
| Molecular Formula | C21H28N8O14P2 |
|---|---|
| Molecular Weight | 678.12 g/mol |
| LogP | -7.4 |
| Topological Polar Surface Area | 333.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 19 |
| Rotatable Bonds | 11 |
| Exact Mass | 678.12 |
| Heavy Atoms | 45 |
| Complexity | 1140.0 |
Chemical Identifiers
| CAS Number | 6952-12-1 |
|---|---|
| SMILES | C1=C[N+](=CC=C1C(=O)NN)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=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)[O-] |
| InChIKey | OVHLHWCJQGBLDX-NNYOXOHSSA-O |
Product Overview
Isonicotinoylhydrazide adenine dinucleotide (CAS 6952-12-1), with molecular formula C21H28N8O14P2 and molecular weight 678.12 g/mol. IUPAC: (2R,3R,4S,5R)-5-[[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxymethyl]-2-[4-(hydrazinecarbonyl)pyridin-1-ium-1-yl]-4-hydroxyoxolan-3-olate.
Chemical Property Profile of Isonicotinoylhydrazide adenine dinucleotide
Property Insights of Isonicotinoylhydrazide adenine dinucleotide
The XLogP value of -7.4 indicates that Isonicotinoylhydrazide adenine dinucleotide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 333.0 Ų indicates high polarity, suggesting Isonicotinoylhydrazide adenine dinucleotide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Isonicotinoylhydrazide 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 Isonicotinoylhydrazide adenine dinucleotide?
The CAS number of Isonicotinoylhydrazide adenine dinucleotide is 6952-12-1.
What is the molecular formula of Isonicotinoylhydrazide adenine dinucleotide?
The molecular formula of Isonicotinoylhydrazide adenine dinucleotide is C21H28N8O14P2.
What is the molecular weight of Isonicotinoylhydrazide adenine dinucleotide?
The molecular weight of Isonicotinoylhydrazide adenine dinucleotide is 678.12 g/mol.
Where can I buy Isonicotinoylhydrazide adenine dinucleotide?
You can request a quote for Isonicotinoylhydrazide adenine dinucleotide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isonicotinoylhydrazide adenine dinucleotide?
Yes, KEHONG BIO provides custom synthesis services for Isonicotinoylhydrazide adenine dinucleotide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.