pyridine 1,N(6)-ethenoadenine dinucleotide
TL;DR: pyridine 1,N(6)-ethenoadenine dinucleotide (CAS 94516-25-3) is a chemical compound with molecular formula C22H26N6O13P2 and molecular weight 644.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[[(2R,3S,4R)-3,4-dihydroxy-5-imidazo[2,1-f]purin-3-yloxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3S,4R,5R)-3,4-dihydroxy-5-pyridin-1-ium-1-yloxolan-2-yl]methyl phosphate
Also Known As: EPDAD, Pyridine 1,N(6)-ethenoadenine dinucleotide, [[(2R,3S,4R)-3,4-dihydroxy-5-imidazo[2,1-f]purin-3-yloxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3S,4R,5R)-3,4-dihydroxy-5-pyridin-1-ium-1-yloxolan-2-yl]methyl phosphate, RefChem:177565
| Molecular Formula | C22H26N6O13P2 |
|---|---|
| Molecular Weight | 644.10 g/mol |
| LogP | -3.7 |
| Topological Polar Surface Area | 256.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 10 |
| Exact Mass | 644.10333 |
| Heavy Atoms | 43 |
| Complexity | 1070.0 |
Chemical Identifiers
| CAS Number | 94516-25-3 |
|---|---|
| SMILES | C1=CC=[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(O3)N4C=NC5=C4N=CN6C5=NC=C6)O)O)O)O |
| InChIKey | AOGLNQMZTPNQIN-GDJMGIOISA-N |
Product Overview
pyridine 1,N(6)-ethenoadenine dinucleotide (CAS 94516-25-3), with molecular formula C22H26N6O13P2 and molecular weight 644.10 g/mol. IUPAC: [[(2R,3S,4R)-3,4-dihydroxy-5-imidazo[2,1-f]purin-3-yloxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3S,4R,5R)-3,4-dihydroxy-5-pyridin-1-ium-1-yloxolan-2-yl]methyl phosphate.
Chemical Property Profile of pyridine 1,N(6)-ethenoadenine dinucleotide
Property Insights of pyridine 1,N(6)-ethenoadenine dinucleotide
The XLogP value of -3.7 indicates that pyridine 1,N(6)-ethenoadenine dinucleotide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 256.0 Ų indicates high polarity, suggesting pyridine 1,N(6)-ethenoadenine dinucleotide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, pyridine 1,N(6)-ethenoadenine dinucleotide has 5 hydrogen bond donor(s) and 16 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of pyridine 1,N(6)-ethenoadenine dinucleotide?
The CAS number of pyridine 1,N(6)-ethenoadenine dinucleotide is 94516-25-3.
What is the molecular formula of pyridine 1,N(6)-ethenoadenine dinucleotide?
The molecular formula of pyridine 1,N(6)-ethenoadenine dinucleotide is C22H26N6O13P2.
What is the molecular weight of pyridine 1,N(6)-ethenoadenine dinucleotide?
The molecular weight of pyridine 1,N(6)-ethenoadenine dinucleotide is 644.10 g/mol.
Where can I buy pyridine 1,N(6)-ethenoadenine dinucleotide?
You can request a quote for pyridine 1,N(6)-ethenoadenine dinucleotide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for pyridine 1,N(6)-ethenoadenine dinucleotide?
Yes, KEHONG BIO provides custom synthesis services for pyridine 1,N(6)-ethenoadenine dinucleotide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.