![N-{9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl}benzamide structure](/static/products/798/79896-97-2.png)
N-{9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl}benzamide
TL;DR: N-{9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl}benzamide (CAS 79896-97-2) is a chemical compound with molecular formula C17H17N5O5 and molecular weight 371.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]benzamide
Also Known As: N6-Benzoyladenosine, N-Benzoyladenosine, Bz-rA, N4-benzoyl adenosine, Adenosine, N-benzoyl-
| Molecular Formula | C17H17N5O5 |
|---|---|
| Molecular Weight | 371.12 g/mol |
| LogP | -0.3099 |
| Topological Polar Surface Area | 142.62 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 371.12296 |
| Heavy Atoms | 27 |
| Complexity | 962.7623 |
Chemical Identifiers
| CAS Number | 79896-97-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)NC2=C3C(=NC=N2)N(C=N3)C4C(C(C(O4)CO)O)O |
Product Overview
N-{9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl}benzamide (CAS 79896-97-2), with molecular formula C17H17N5O5 and molecular weight 371.12 g/mol. IUPAC: N-[9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]benzamide.
Chemical Property Profile of N-{9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl}benzamide
Property Insights of N-{9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl}benzamide
The XLogP value of -0.3099 indicates that N-{9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl}benzamide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 142.62 Ų indicates high polarity, suggesting N-{9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl}benzamide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N-{9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl}benzamide has 4 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-{9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl}benzamide?
The CAS number of N-{9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl}benzamide is 79896-97-2.
What is the molecular formula of N-{9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl}benzamide?
The molecular formula of N-{9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl}benzamide is C17H17N5O5.
What is the molecular weight of N-{9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl}benzamide?
The molecular weight of N-{9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl}benzamide is 371.12 g/mol.
Where can I buy N-{9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl}benzamide?
You can request a quote for N-{9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl}benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-{9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl}benzamide?
Yes, KEHONG BIO provides custom synthesis services for N-{9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl}benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.