Benzamide adenine nucleotide
TL;DR: Benzamide adenine nucleotide (CAS 156724-91-3) is a chemical compound with molecular formula C22H28N6O14P2 and molecular weight 662.1139 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3S,4R,5S)-5-(3-carbamoylphenyl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate
Also Known As: Benzamide adenine nucleotide, benzamideadeninedinucleoside, Benzamide Adenine Dinucleotide, SID:254561553, [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3S,4R,5S)-5-(3-carbamoylphenyl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate
Technical Specifications
| Molecular Formula | C22H28N6O14P2 |
| Molecular Weight | 662.1139 g/mol |
| XLogP | -5.2 |
| Topological Polar Surface Area (TPSA) | 314.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 11 |
| Exact Mass | 662.1139 Da |
| Heavy Atoms | 44 |
| Complexity | 1130.0 |
| SMILES | C1=CC(=CC(=C1)C(=O)N)[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 |
| InChIKey | HNKKJJHKTPALEK-RACQCECLSA-N |
Chemical Property Profile of Benzamide adenine nucleotide
Property Insights of Benzamide adenine nucleotide
The XLogP value of -5.2 indicates that Benzamide adenine nucleotide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 314.0 Ų indicates high polarity, suggesting Benzamide adenine nucleotide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Benzamide adenine nucleotide has 8 hydrogen bond donor(s) and 18 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Benzamide adenine nucleotide?
The CAS number of Benzamide adenine nucleotide is 156724-91-3.
What is the molecular formula of Benzamide adenine nucleotide?
The molecular formula of Benzamide adenine nucleotide is C22H28N6O14P2.
What is the molecular weight of Benzamide adenine nucleotide?
The molecular weight of Benzamide adenine nucleotide is 662.1139 g/mol.
Where can I buy Benzamide adenine nucleotide?
You can request a quote for Benzamide adenine nucleotide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Benzamide adenine nucleotide?
Yes, CoreyChem provides custom synthesis services for Benzamide adenine nucleotide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.