3'-O-(4-Benzoyl)benzoyladenosine diphosphate
TL;DR: 3'-O-(4-Benzoyl)benzoyladenosine diphosphate (CAS 87550-03-6) is a chemical compound with molecular formula C24H23N5O12P2 and molecular weight 635.08 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)-4-hydroxy-2-[[hydroxy(phosphonooxy)phosphoryl]oxymethyl]oxolan-3-yl] 4-benzoylbenzoate
Also Known As: BzADP, 3'-O-(4-Benzoyl)benzoyl-ADP, 3'-O-(4-Benzoyl)benzoyladenosine diphosphate, [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-[[hydroxy(phosphonooxy)phosphoryl]oxymethyl]oxolan-3-yl] 4-benzoylbenzoate, 3'-O-(4-Benzoylbenzoyl)adenosine 5'-(trihydrogen diphosphate)
| Molecular Formula | C24H23N5O12P2 |
|---|---|
| Molecular Weight | 635.08 g/mol |
| LogP | 1.3497 |
| Topological Polar Surface Area | 255.74 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 10 |
| Exact Mass | 635.08185 |
| Heavy Atoms | 43 |
| Complexity | 1746.698 |
Chemical Identifiers
| CAS Number | 87550-03-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)C(=O)O[C@@H]3[C@H](O[C@H]([C@@H]3O)N4C=NC5=C(N=CN=C54)N)COP(=O)(O)OP(=O)(O)O |
Product Overview
3'-O-(4-Benzoyl)benzoyladenosine diphosphate (CAS 87550-03-6), with molecular formula C24H23N5O12P2 and molecular weight 635.08 g/mol. IUPAC: [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-[[hydroxy(phosphonooxy)phosphoryl]oxymethyl]oxolan-3-yl] 4-benzoylbenzoate.
Chemical Property Profile of 3'-O-(4-Benzoyl)benzoyladenosine diphosphate
Property Insights of 3'-O-(4-Benzoyl)benzoyladenosine diphosphate
The XLogP value of 1.3497 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3'-O-(4-Benzoyl)benzoyladenosine diphosphate. The TPSA of 255.74 Ų indicates high polarity, suggesting 3'-O-(4-Benzoyl)benzoyladenosine diphosphate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3'-O-(4-Benzoyl)benzoyladenosine diphosphate has 5 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3'-O-(4-Benzoyl)benzoyladenosine diphosphate?
The CAS number of 3'-O-(4-Benzoyl)benzoyladenosine diphosphate is 87550-03-6.
What is the molecular formula of 3'-O-(4-Benzoyl)benzoyladenosine diphosphate?
The molecular formula of 3'-O-(4-Benzoyl)benzoyladenosine diphosphate is C24H23N5O12P2.
What is the molecular weight of 3'-O-(4-Benzoyl)benzoyladenosine diphosphate?
The molecular weight of 3'-O-(4-Benzoyl)benzoyladenosine diphosphate is 635.08 g/mol.
Where can I buy 3'-O-(4-Benzoyl)benzoyladenosine diphosphate?
You can request a quote for 3'-O-(4-Benzoyl)benzoyladenosine diphosphate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3'-O-(4-Benzoyl)benzoyladenosine diphosphate?
Yes, KEHONG BIO provides custom synthesis services for 3'-O-(4-Benzoyl)benzoyladenosine diphosphate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.