3,4-Dimethylpyridine adenine dinucleotide
TL;DR: 3,4-Dimethylpyridine adenine dinucleotide (CAS 102686-21-5) is a chemical compound with molecular formula C22H30N6O13P2 and molecular weight 648.13 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-(3,4-dimethylpyridin-1-ium-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphate
Also Known As: 3,4-Dmpad, 3,4-Dimethylpyridine adenine dinucleotide, [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3S,4R,5R)-5-(3,4-dimethylpyridin-1-ium-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphate, Adenosine 5'-(trihydrogen diphosphate), 5'-5'-ester with 3,4-dimethyl-1-beta-D-ribofuranosylpyridinium hydroxide, inner salt, RefChem:91226
| Molecular Formula | C22H30N6O13P2 |
|---|---|
| Molecular Weight | 648.13 g/mol |
| LogP | -4.2 |
| Topological Polar Surface Area | 278.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 17 |
| Rotatable Bonds | 10 |
| Exact Mass | 648.1346 |
| Heavy Atoms | 43 |
| Complexity | 1060.0 |
Chemical Identifiers
| CAS Number | 102686-21-5 |
|---|---|
| SMILES | CC1=C(C=[N+](C=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 |
| InChIKey | NDJMRNDYWSNOQN-RBEMOOQDSA-N |
Product Overview
3,4-Dimethylpyridine adenine dinucleotide (CAS 102686-21-5), with molecular formula C22H30N6O13P2 and molecular weight 648.13 g/mol. IUPAC: [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3S,4R,5R)-5-(3,4-dimethylpyridin-1-ium-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphate.
Chemical Property Profile of 3,4-Dimethylpyridine adenine dinucleotide
Property Insights of 3,4-Dimethylpyridine adenine dinucleotide
The XLogP value of -4.2 indicates that 3,4-Dimethylpyridine adenine dinucleotide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 278.0 Ų indicates high polarity, suggesting 3,4-Dimethylpyridine adenine dinucleotide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3,4-Dimethylpyridine adenine dinucleotide has 6 hydrogen bond donor(s) and 17 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3,4-Dimethylpyridine adenine dinucleotide?
The CAS number of 3,4-Dimethylpyridine adenine dinucleotide is 102686-21-5.
What is the molecular formula of 3,4-Dimethylpyridine adenine dinucleotide?
The molecular formula of 3,4-Dimethylpyridine adenine dinucleotide is C22H30N6O13P2.
What is the molecular weight of 3,4-Dimethylpyridine adenine dinucleotide?
The molecular weight of 3,4-Dimethylpyridine adenine dinucleotide is 648.13 g/mol.
Where can I buy 3,4-Dimethylpyridine adenine dinucleotide?
You can request a quote for 3,4-Dimethylpyridine adenine dinucleotide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4-Dimethylpyridine adenine dinucleotide?
Yes, KEHONG BIO provides custom synthesis services for 3,4-Dimethylpyridine adenine dinucleotide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.