N-Benzoyl-2'-deoxyadenosine 3'-benzoate
TL;DR: N-Benzoyl-2'-deoxyadenosine 3'-benzoate (CAS 51549-54-3) is a chemical compound with molecular formula C24H21N5O5 and molecular weight 459.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R,3S,5R)-5-(6-benzamidopurin-9-yl)-2-(hydroxymethyl)oxolan-3-yl] benzoate
Also Known As: N6,3'-O-Dibenzoyl-2'-deoxyadenosine, N-Benzoyl-2'-deoxyadenosine 3'-benzoate, buta-2,3-dien-2-ylcyclopropane, n-benzoyl-3'-o-benzoyl-2'-deoxyadenosine, N6,3'-O-Dibenzoyl-2'-deoxy-D-adenosine
| Molecular Formula | C24H21N5O5 |
|---|---|
| Molecular Weight | 459.15 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 128.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 459.15427 |
| Heavy Atoms | 34 |
| Complexity | 714.0 |
Chemical Identifiers
| CAS Number | 51549-54-3 |
|---|---|
| SMILES | C1[C@@H]([C@H](O[C@H]1N2C=NC3=C(N=CN=C32)NC(=O)C4=CC=CC=C4)CO)OC(=O)C5=CC=CC=C5 |
| InChIKey | GRASBJRYLQJMMU-IPMKNSEASA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-Benzoyl-2'-deoxyadenosine 3'-benzoate (CAS 51549-54-3), with molecular formula C24H21N5O5 and molecular weight 459.15 g/mol. IUPAC: [(2R,3S,5R)-5-(6-benzamidopurin-9-yl)-2-(hydroxymethyl)oxolan-3-yl] benzoate.
Chemical Property Profile of N-Benzoyl-2'-deoxyadenosine 3'-benzoate
Property Insights of N-Benzoyl-2'-deoxyadenosine 3'-benzoate
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Benzoyl-2'-deoxyadenosine 3'-benzoate. The TPSA of 128.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-Benzoyl-2'-deoxyadenosine 3'-benzoate. Following Lipinski's Rule of Five, N-Benzoyl-2'-deoxyadenosine 3'-benzoate has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-Benzoyl-2'-deoxyadenosine 3'-benzoate?
The CAS number of N-Benzoyl-2'-deoxyadenosine 3'-benzoate is 51549-54-3.
What is the molecular formula of N-Benzoyl-2'-deoxyadenosine 3'-benzoate?
The molecular formula of N-Benzoyl-2'-deoxyadenosine 3'-benzoate is C24H21N5O5.
What is the molecular weight of N-Benzoyl-2'-deoxyadenosine 3'-benzoate?
The molecular weight of N-Benzoyl-2'-deoxyadenosine 3'-benzoate is 459.15 g/mol.
Where can I buy N-Benzoyl-2'-deoxyadenosine 3'-benzoate?
You can request a quote for N-Benzoyl-2'-deoxyadenosine 3'-benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Benzoyl-2'-deoxyadenosine 3'-benzoate?
Yes, KEHONG BIO provides custom synthesis services for N-Benzoyl-2'-deoxyadenosine 3'-benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.