Bz3PdAD
TL;DR: Bz3PdAD (CAS 104076-88-2) is a chemical compound with molecular formula C27H32N6O14P2 and molecular weight 726.15 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-(3-benzoyl-4H-pyridin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate
Also Known As: Bz3PdAD, 3-Benzoylpyridine-adenine dinucleotide, [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3S,4R,5R)-5-(3-benzoyl-4H-pyridin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate, [(2R,3S,4R,5R)-5-(6-Amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl [(2R,3S,4R,5R)-5-(3-benzoylpyridin-1(4H)-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen diphosphate, Adenosine 5'-(trihydrogen diphosphate), P'->5'-ester with (1,4-dihydro-1-beta-D-ribofuranosyl-3-pyridinyl)phenylmethanone
| Molecular Formula | C27H32N6O14P2 |
|---|---|
| Molecular Weight | 726.15 g/mol |
| LogP | -3.3 |
| Topological Polar Surface Area | 292.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 19 |
| Rotatable Bonds | 12 |
| Exact Mass | 726.1452 |
| Heavy Atoms | 49 |
| Complexity | 1360.0 |
Chemical Identifiers
| CAS Number | 104076-88-2 |
|---|---|
| SMILES | C1C=CN(C=C1C(=O)C2=CC=CC=C2)[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 | PDQBXNVFMIWCME-XXQHZGKUSA-N |
Product Overview
Bz3PdAD (CAS 104076-88-2), with molecular formula C27H32N6O14P2 and molecular weight 726.15 g/mol. IUPAC: [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3S,4R,5R)-5-(3-benzoyl-4H-pyridin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate.
Chemical Property Profile of Bz3PdAD
Property Insights of Bz3PdAD
The XLogP value of -3.3 indicates that Bz3PdAD is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 292.0 Ų indicates high polarity, suggesting Bz3PdAD may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Bz3PdAD has 7 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 Bz3PdAD?
The CAS number of Bz3PdAD is 104076-88-2.
What is the molecular formula of Bz3PdAD?
The molecular formula of Bz3PdAD is C27H32N6O14P2.
What is the molecular weight of Bz3PdAD?
The molecular weight of Bz3PdAD is 726.15 g/mol.
Where can I buy Bz3PdAD?
You can request a quote for Bz3PdAD directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bz3PdAD?
Yes, KEHONG BIO provides custom synthesis services for Bz3PdAD and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.