Adenosine, 1-benzyl-, hydrobromide
TL;DR: Adenosine, 1-benzyl-, hydrobromide (CAS 55677-97-9) is a chemical compound with molecular formula C17H20BrN5O4 and molecular weight 437.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1-benzyl-6-iminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol;hydrobromide
Also Known As: Adenosine, 1-benzyl-, hydrobromide, 1-Benzyl-9-pentofuranosyl-1,9-dihydro-6H-purin-6-imine--hydrogen bromide (1/1), 2-(1-benzyl-6-iminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol hydrobromide
| Molecular Formula | C17H20BrN5O4 |
|---|---|
| Molecular Weight | 437.07 g/mol |
| LogP | -0.05003 |
| Topological Polar Surface Area | 127.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 437.0699 |
| Heavy Atoms | 27 |
| Complexity | 555.0 |
Chemical Identifiers
| CAS Number | 55677-97-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN2C=NC3=C(C2=N)N=CN3C4C(C(C(O4)CO)O)O.Br |
| InChIKey | BBIZCMRYVPBVPK-UHFFFAOYSA-N |
Product Overview
Adenosine, 1-benzyl-, hydrobromide (CAS 55677-97-9), with molecular formula C17H20BrN5O4 and molecular weight 437.07 g/mol. IUPAC: 2-(1-benzyl-6-iminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol;hydrobromide.
Chemical Property Profile of Adenosine, 1-benzyl-, hydrobromide
Property Insights of Adenosine, 1-benzyl-, hydrobromide
The XLogP value of -0.05003 indicates that Adenosine, 1-benzyl-, hydrobromide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 127.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Adenosine, 1-benzyl-, hydrobromide. Following Lipinski's Rule of Five, Adenosine, 1-benzyl-, hydrobromide has 5 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 Adenosine, 1-benzyl-, hydrobromide?
The CAS number of Adenosine, 1-benzyl-, hydrobromide is 55677-97-9.
What is the molecular formula of Adenosine, 1-benzyl-, hydrobromide?
The molecular formula of Adenosine, 1-benzyl-, hydrobromide is C17H20BrN5O4.
What is the molecular weight of Adenosine, 1-benzyl-, hydrobromide?
The molecular weight of Adenosine, 1-benzyl-, hydrobromide is 437.07 g/mol.
Where can I buy Adenosine, 1-benzyl-, hydrobromide?
You can request a quote for Adenosine, 1-benzyl-, hydrobromide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Adenosine, 1-benzyl-, hydrobromide?
Yes, KEHONG BIO provides custom synthesis services for Adenosine, 1-benzyl-, hydrobromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.