INH-NAD Adduct
TL;DR: INH-NAD Adduct (CAS 250135-94-5) is a chemical compound with molecular formula C27H32N8O15P2 and molecular weight 770.15 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)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3S,4R,5R)-5-[(4S)-3-carbamoyl-4-(pyridine-4-carbonyl)-4H-pyridin-1-yl]-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate
Also Known As: INH-NAD Adduct, isonicotinic-acetyl-nicotinamide-adenine dinucleotide, [({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]({[(2R,3S,4R,5R)-5-[(4S)-3-carbamoyl-4-(pyridin-4-ylcarbonyl)-1,4-dihydropyridin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy})phosphinic acid, [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-[[(2R,3S,4R,5R)-5-[(4S)-3-carbamoyl-4-(pyridine-4-carbonyl)-4H-pyridin-1-yl]-3,4-dihydroxy-oxolan-2-yl]methoxy]phosphinic acid, [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] [(2R,3S,4R,5R)-5-[(4S)-3-carbamoyl-4-(pyridine-4-carbonyl)-4H-pyridin-1-yl]-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl hydrogen phosphate
| Molecular Formula | C27H32N8O15P2 |
|---|---|
| Molecular Weight | 770.15 g/mol |
| LogP | -5.8 |
| Topological Polar Surface Area | 348.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 21 |
| Rotatable Bonds | 13 |
| Exact Mass | 770.14624 |
| Heavy Atoms | 52 |
| Complexity | 1490.0 |
Chemical Identifiers
| CAS Number | 250135-94-5 |
|---|---|
| SMILES | C1=CN(C=C([C@H]1C(=O)C2=CC=NC=C2)C(=O)N)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=NC6=C(N=CN=C65)N)O)O)O)O |
| InChIKey | GZPCDCKLGMEXOS-BGARNJTLSA-N |
Product Overview
INH-NAD Adduct (CAS 250135-94-5), with molecular formula C27H32N8O15P2 and molecular weight 770.15 g/mol. IUPAC: [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3S,4R,5R)-5-[(4S)-3-carbamoyl-4-(pyridine-4-carbonyl)-4H-pyridin-1-yl]-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate.
Chemical Property Profile of INH-NAD Adduct
Property Insights of INH-NAD Adduct
The XLogP value of -5.8 indicates that INH-NAD Adduct is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 348.0 Ų indicates high polarity, suggesting INH-NAD Adduct may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, INH-NAD Adduct has 8 hydrogen bond donor(s) and 21 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of INH-NAD Adduct?
The CAS number of INH-NAD Adduct is 250135-94-5.
What is the molecular formula of INH-NAD Adduct?
The molecular formula of INH-NAD Adduct is C27H32N8O15P2.
What is the molecular weight of INH-NAD Adduct?
The molecular weight of INH-NAD Adduct is 770.15 g/mol.
Where can I buy INH-NAD Adduct?
You can request a quote for INH-NAD Adduct directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for INH-NAD Adduct?
Yes, KEHONG BIO provides custom synthesis services for INH-NAD Adduct and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.