![9-[5-o-Acetyl-2,3-o-(1-methylethylidene)pentofuranosyl]-8-bromo-9h-purin-6-amine structure](/static/products/1311/13116-27-3.webp)
9-[5-o-Acetyl-2,3-o-(1-methylethylidene)pentofuranosyl]-8-bromo-9h-purin-6-amine
TL;DR: 9-[5-o-Acetyl-2,3-o-(1-methylethylidene)pentofuranosyl]-8-bromo-9h-purin-6-amine (CAS 13116-27-3) is a chemical compound with molecular formula C15H18BrN5O5 and molecular weight 427.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(6-amino-8-bromopurin-9-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl acetate
Also Known As: 9-[5-o-acetyl-2,3-o-(1-methylethylidene)pentofuranosyl]-8-bromo-9h-purin-6-amine, 8-Bromo-2',3'-O-(1-methylethylidene)-5'-acetate Adenosine, [4-(6-amino-8-bromopurin-9-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl acetate
| Molecular Formula | C15H18BrN5O5 |
|---|---|
| Molecular Weight | 427.05 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 124.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 4 |
| Exact Mass | 427.04913 |
| Heavy Atoms | 26 |
| Complexity | 569.0 |
Chemical Identifiers
| CAS Number | 13116-27-3 |
|---|---|
| SMILES | CC(=O)OCC1C2C(C(O1)N3C4=NC=NC(=C4N=C3Br)N)OC(O2)(C)C |
| InChIKey | SPIGLDZVEURWTD-UHFFFAOYSA-N |
Product Overview
9-[5-o-Acetyl-2,3-o-(1-methylethylidene)pentofuranosyl]-8-bromo-9h-purin-6-amine (CAS 13116-27-3), with molecular formula C15H18BrN5O5 and molecular weight 427.05 g/mol. IUPAC: [4-(6-amino-8-bromopurin-9-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl acetate.
Chemical Property Profile of 9-[5-o-Acetyl-2,3-o-(1-methylethylidene)pentofuranosyl]-8-bromo-9h-purin-6-amine
Property Insights of 9-[5-o-Acetyl-2,3-o-(1-methylethylidene)pentofuranosyl]-8-bromo-9h-purin-6-amine
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 9-[5-o-Acetyl-2,3-o-(1-methylethylidene)pentofuranosyl]-8-bromo-9h-purin-6-amine. The TPSA of 124.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 9-[5-o-Acetyl-2,3-o-(1-methylethylidene)pentofuranosyl]-8-bromo-9h-purin-6-amine. Following Lipinski's Rule of Five, 9-[5-o-Acetyl-2,3-o-(1-methylethylidene)pentofuranosyl]-8-bromo-9h-purin-6-amine has 1 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 9-[5-o-Acetyl-2,3-o-(1-methylethylidene)pentofuranosyl]-8-bromo-9h-purin-6-amine?
The CAS number of 9-[5-o-Acetyl-2,3-o-(1-methylethylidene)pentofuranosyl]-8-bromo-9h-purin-6-amine is 13116-27-3.
What is the molecular formula of 9-[5-o-Acetyl-2,3-o-(1-methylethylidene)pentofuranosyl]-8-bromo-9h-purin-6-amine?
The molecular formula of 9-[5-o-Acetyl-2,3-o-(1-methylethylidene)pentofuranosyl]-8-bromo-9h-purin-6-amine is C15H18BrN5O5.
What is the molecular weight of 9-[5-o-Acetyl-2,3-o-(1-methylethylidene)pentofuranosyl]-8-bromo-9h-purin-6-amine?
The molecular weight of 9-[5-o-Acetyl-2,3-o-(1-methylethylidene)pentofuranosyl]-8-bromo-9h-purin-6-amine is 427.05 g/mol.
Where can I buy 9-[5-o-Acetyl-2,3-o-(1-methylethylidene)pentofuranosyl]-8-bromo-9h-purin-6-amine?
You can request a quote for 9-[5-o-Acetyl-2,3-o-(1-methylethylidene)pentofuranosyl]-8-bromo-9h-purin-6-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9-[5-o-Acetyl-2,3-o-(1-methylethylidene)pentofuranosyl]-8-bromo-9h-purin-6-amine?
Yes, KEHONG BIO provides custom synthesis services for 9-[5-o-Acetyl-2,3-o-(1-methylethylidene)pentofuranosyl]-8-bromo-9h-purin-6-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.