1,4,5,6-Tetrahydronicotinamide adenine dinucleotide
TL;DR: 1,4,5,6-Tetrahydronicotinamide adenine dinucleotide (CAS 35970-06-0) is a chemical compound with molecular formula C21H31N7O14P2 and molecular weight 667.14 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-(5-carbamoyl-3,4-dihydro-2H-pyridin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate
Also Known As: Tetrahydro-NAD, Nicotinamide-Adenine-Dinucleotide, Sid 746790, KST-1A4199, 1,4,5,6-Tetrahydronicotinamide adenine dinucleotide
| Molecular Formula | C21H31N7O14P2 |
|---|---|
| Molecular Weight | 667.14 g/mol |
| LogP | -5.8 |
| Topological Polar Surface Area | 318.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 19 |
| Rotatable Bonds | 11 |
| Exact Mass | 667.14044 |
| Heavy Atoms | 44 |
| Complexity | 1190.0 |
Chemical Identifiers
| CAS Number | 35970-06-0 |
|---|---|
| SMILES | C1CC(=CN(C1)[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)C(=O)N |
| InChIKey | TXDOUQMFGDSHDX-NNYOXOHSSA-N |
Product Overview
1,4,5,6-Tetrahydronicotinamide adenine dinucleotide (CAS 35970-06-0), with molecular formula C21H31N7O14P2 and molecular weight 667.14 g/mol. IUPAC: [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3S,4R,5R)-5-(5-carbamoyl-3,4-dihydro-2H-pyridin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate.
Chemical Property Profile of 1,4,5,6-Tetrahydronicotinamide adenine dinucleotide
Property Insights of 1,4,5,6-Tetrahydronicotinamide adenine dinucleotide
The XLogP value of -5.8 indicates that 1,4,5,6-Tetrahydronicotinamide adenine dinucleotide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 318.0 Ų indicates high polarity, suggesting 1,4,5,6-Tetrahydronicotinamide adenine dinucleotide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1,4,5,6-Tetrahydronicotinamide 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 1,4,5,6-Tetrahydronicotinamide adenine dinucleotide?
The CAS number of 1,4,5,6-Tetrahydronicotinamide adenine dinucleotide is 35970-06-0.
What is the molecular formula of 1,4,5,6-Tetrahydronicotinamide adenine dinucleotide?
The molecular formula of 1,4,5,6-Tetrahydronicotinamide adenine dinucleotide is C21H31N7O14P2.
What is the molecular weight of 1,4,5,6-Tetrahydronicotinamide adenine dinucleotide?
The molecular weight of 1,4,5,6-Tetrahydronicotinamide adenine dinucleotide is 667.14 g/mol.
Where can I buy 1,4,5,6-Tetrahydronicotinamide adenine dinucleotide?
You can request a quote for 1,4,5,6-Tetrahydronicotinamide adenine dinucleotide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4,5,6-Tetrahydronicotinamide adenine dinucleotide?
Yes, KEHONG BIO provides custom synthesis services for 1,4,5,6-Tetrahydronicotinamide adenine dinucleotide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.