Nicotinamide-benzimidazole dinucleotide
TL;DR: Nicotinamide-benzimidazole dinucleotide (CAS 606-77-9) is a chemical compound with molecular formula C23H28N4O14P2 and molecular weight 646.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[[(2R,3S,4R,5R)-5-(benzimidazol-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-[[(2R,3S,4R,5R)-5-(3-carbamoylpyridin-1-ium-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy]phosphoryl] hydrogen phosphate
Also Known As: Nicotinamide-benzimidazole dinucleotide, Benzimidazole-nicotinamide dinucleotide, [[(2R,3S,4R,5R)-5-(benzimidazol-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-[[(2R,3S,4R,5R)-5-(3-carbamoylpyridin-1-ium-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy]phosphoryl] hydrogen phosphate, 3-Carbamoyl-1-beta-D-ribofuranosylpyridinium hydroxide, 5'-pyrophosphate, 5'-ester with 1-beta-D-ribofuranosylbenzimidazole, inner salt, Pyridinium, 3-(aminocarbonyl)-1-(5-O-(hydroxy(phosphonooxy)phosphinyl)-beta-D-ribofuranosyl)-, inner salt, P'-5'-ester with 1-beta-D-ribofuranosyl-1H-benzimidazole
| Molecular Formula | C23H28N4O14P2 |
|---|---|
| Molecular Weight | 646.11 g/mol |
| LogP | -2.0201 |
| Topological Polar Surface Area | 269.29 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 11 |
| Exact Mass | 646.1077 |
| Heavy Atoms | 43 |
| Complexity | 1567.5151 |
Chemical Identifiers
| CAS Number | 606-77-9 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(OC[C@@H]4[C@H]([C@H]([C@@H](O4)[N+]5=CC=CC(=C5)C(=O)N)O)O)OP(=O)(O)[O-])O)O |
Product Overview
Nicotinamide-benzimidazole dinucleotide (CAS 606-77-9), with molecular formula C23H28N4O14P2 and molecular weight 646.11 g/mol. IUPAC: [[(2R,3S,4R,5R)-5-(benzimidazol-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-[[(2R,3S,4R,5R)-5-(3-carbamoylpyridin-1-ium-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy]phosphoryl] hydrogen phosphate.
Chemical Property Profile of Nicotinamide-benzimidazole dinucleotide
Property Insights of Nicotinamide-benzimidazole dinucleotide
The XLogP value of -2.0201 indicates that Nicotinamide-benzimidazole dinucleotide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 269.29 Ų indicates high polarity, suggesting Nicotinamide-benzimidazole dinucleotide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Nicotinamide-benzimidazole dinucleotide has 6 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Nicotinamide-benzimidazole dinucleotide?
The CAS number of Nicotinamide-benzimidazole dinucleotide is 606-77-9.
What is the molecular formula of Nicotinamide-benzimidazole dinucleotide?
The molecular formula of Nicotinamide-benzimidazole dinucleotide is C23H28N4O14P2.
What is the molecular weight of Nicotinamide-benzimidazole dinucleotide?
The molecular weight of Nicotinamide-benzimidazole dinucleotide is 646.11 g/mol.
Where can I buy Nicotinamide-benzimidazole dinucleotide?
You can request a quote for Nicotinamide-benzimidazole dinucleotide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Nicotinamide-benzimidazole dinucleotide?
Yes, KEHONG BIO provides custom synthesis services for Nicotinamide-benzimidazole dinucleotide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.