Benzoadenosine
TL;DR: Benzoadenosine (CAS 42519-51-7) is a chemical compound with molecular formula C17H19N5O4 and molecular weight 357.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[6-(benzylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
Also Known As: Benzoadenosine, N6-Benzyladenosine, Benzyladenosine, N-Benzyladenosine, 6-Benzyladenosine
| Molecular Formula | C17H19N5O4 |
|---|---|
| Molecular Weight | 357.14 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 126.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 357.1437 |
| Heavy Atoms | 26 |
| Complexity | 466.0 |
Chemical Identifiers
| CAS Number | 42519-51-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)CNC2=C3C(=NC=N2)N(C=N3)C4C(C(C(O4)CO)O)O |
| InChIKey | MRPKNNSABYPGBF-UHFFFAOYSA-N |
Product Overview
Benzoadenosine (CAS 42519-51-7), with molecular formula C17H19N5O4 and molecular weight 357.14 g/mol. IUPAC: 2-[6-(benzylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol.
Chemical Property Profile of Benzoadenosine
Property Insights of Benzoadenosine
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoadenosine. The TPSA of 126.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoadenosine. Following Lipinski's Rule of Five, Benzoadenosine 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 Benzoadenosine?
The CAS number of Benzoadenosine is 42519-51-7.
What is the molecular formula of Benzoadenosine?
The molecular formula of Benzoadenosine is C17H19N5O4.
What is the molecular weight of Benzoadenosine?
The molecular weight of Benzoadenosine is 357.14 g/mol.
Where can I buy Benzoadenosine?
You can request a quote for Benzoadenosine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoadenosine?
Yes, KEHONG BIO provides custom synthesis services for Benzoadenosine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.