![[5-(6-Amino-8-bromopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl acetate structure](/static/products/130/13089-47-9.png)
[5-(6-Amino-8-bromopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl acetate
TL;DR: [5-(6-Amino-8-bromopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl acetate (CAS 13089-47-9) is a chemical compound with molecular formula C12H14BrN5O5 and molecular weight 387.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[5-(6-amino-8-bromopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl acetate
Also Known As: 8-Bromo-5'-acetate adenosine, [5-(6-amino-8-bromo-purin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl Acetate, [5-(6-amino-8-bromopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl acetate
| Molecular Formula | C12H14BrN5O5 |
|---|---|
| Molecular Weight | 387.02 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 146.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 4 |
| Exact Mass | 387.01782 |
| Heavy Atoms | 23 |
| Complexity | 460.0 |
Chemical Identifiers
| CAS Number | 13089-47-9 |
|---|---|
| SMILES | CC(=O)OCC1C(C(C(O1)N2C3=NC=NC(=C3N=C2Br)N)O)O |
| InChIKey | YAYUJIUPYQEMDW-UHFFFAOYSA-N |
Product Overview
[5-(6-Amino-8-bromopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl acetate (CAS 13089-47-9), with molecular formula C12H14BrN5O5 and molecular weight 387.02 g/mol. IUPAC: [5-(6-amino-8-bromopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl acetate.
Chemical Property Profile of [5-(6-Amino-8-bromopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl acetate
Property Insights of [5-(6-Amino-8-bromopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl acetate
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [5-(6-Amino-8-bromopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl acetate. The TPSA of 146.0 Ų indicates high polarity, suggesting [5-(6-Amino-8-bromopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl acetate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, [5-(6-Amino-8-bromopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl acetate has 3 hydrogen bond donor(s) and 9 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 [5-(6-Amino-8-bromopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl acetate?
The CAS number of [5-(6-Amino-8-bromopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl acetate is 13089-47-9.
What is the molecular formula of [5-(6-Amino-8-bromopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl acetate?
The molecular formula of [5-(6-Amino-8-bromopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl acetate is C12H14BrN5O5.
What is the molecular weight of [5-(6-Amino-8-bromopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl acetate?
The molecular weight of [5-(6-Amino-8-bromopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl acetate is 387.02 g/mol.
Where can I buy [5-(6-Amino-8-bromopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl acetate?
You can request a quote for [5-(6-Amino-8-bromopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [5-(6-Amino-8-bromopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl acetate?
Yes, KEHONG BIO provides custom synthesis services for [5-(6-Amino-8-bromopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.