N-benzoyl-2'-deoxyadenosine
TL;DR: N-benzoyl-2'-deoxyadenosine (CAS 4546-72-9) is a chemical compound with molecular formula C17H17N5O4 and molecular weight 355.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]benzamide
Also Known As: N6-Benzoyl-2'-deoxyadenosine, N-Benzoyl-2'-deoxyadenosine, Corosolic acid, N-Benzoyldeoxyadenosine, N-Benzoyl-2'-deoxy-adenosine
| Molecular Formula | C17H17N5O4 |
|---|---|
| Molecular Weight | 355.13 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 122.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 355.12805 |
| Heavy Atoms | 26 |
| Complexity | 504.0 |
Chemical Identifiers
| CAS Number | 4546-72-9 |
|---|---|
| SMILES | C1[C@@H]([C@H](O[C@H]1N2C=NC3=C(N=CN=C32)NC(=O)C4=CC=CC=C4)CO)O |
| InChIKey | PIXHJAPVPCVZSV-YNEHKIRRSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-benzoyl-2'-deoxyadenosine (CAS 4546-72-9), with molecular formula C17H17N5O4 and molecular weight 355.13 g/mol. IUPAC: N-[9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]benzamide.
Chemical Property Profile of N-benzoyl-2'-deoxyadenosine
Property Insights of N-benzoyl-2'-deoxyadenosine
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-benzoyl-2'-deoxyadenosine. The TPSA of 122.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-benzoyl-2'-deoxyadenosine. Following Lipinski's Rule of Five, N-benzoyl-2'-deoxyadenosine has 3 hydrogen bond donor(s) and 7 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?
The CAS number of N-benzoyl-2'-deoxyadenosine is 4546-72-9.
What is the molecular formula of N-benzoyl-2'-deoxyadenosine?
The molecular formula of N-benzoyl-2'-deoxyadenosine is C17H17N5O4.
What is the molecular weight of N-benzoyl-2'-deoxyadenosine?
The molecular weight of N-benzoyl-2'-deoxyadenosine is 355.13 g/mol.
Where can I buy N-benzoyl-2'-deoxyadenosine?
You can request a quote for N-benzoyl-2'-deoxyadenosine 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?
Yes, KEHONG BIO provides custom synthesis services for N-benzoyl-2'-deoxyadenosine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.