8-bromo-2',3',5'-tri-O-acetyladenosine
TL;DR: 8-bromo-2',3',5'-tri-O-acetyladenosine (CAS 31281-86-4) is a chemical compound with molecular formula C16H18BrN5O7 and molecular weight 471.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R,5R)-3,4-diacetyloxy-5-(6-amino-8-bromopurin-9-yl)oxolan-2-yl]methyl acetate
Also Known As: 8-Br-TOAA, 8-Bromo-2',3',5'-tri-O-acetyladenosine, 8-Bromoadenosine 2',3',5'-triacetate, 8-Bromo-adenosine 2',3',5'-Triacetate, Adenosine, 8-bromo-, 2',3',5'-triacetate
| Molecular Formula | C16H18BrN5O7 |
|---|---|
| Molecular Weight | 471.04 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 158.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 8 |
| Exact Mass | 471.03897 |
| Heavy Atoms | 29 |
| Complexity | 655.0 |
Chemical Identifiers
| CAS Number | 31281-86-4 |
|---|---|
| SMILES | CC(=O)OC[C@@H]1C(C([C@@H](O1)N2C3=NC=NC(=C3N=C2Br)N)OC(=O)C)OC(=O)C |
| InChIKey | HRCLVNMFELGYPE-HGOJYGERSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
8-bromo-2',3',5'-tri-O-acetyladenosine (CAS 31281-86-4), with molecular formula C16H18BrN5O7 and molecular weight 471.04 g/mol. IUPAC: [(2R,5R)-3,4-diacetyloxy-5-(6-amino-8-bromopurin-9-yl)oxolan-2-yl]methyl acetate.
Chemical Property Profile of 8-bromo-2',3',5'-tri-O-acetyladenosine
Property Insights of 8-bromo-2',3',5'-tri-O-acetyladenosine
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-bromo-2',3',5'-tri-O-acetyladenosine. The TPSA of 158.0 Ų indicates high polarity, suggesting 8-bromo-2',3',5'-tri-O-acetyladenosine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 8-bromo-2',3',5'-tri-O-acetyladenosine has 1 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 8-bromo-2',3',5'-tri-O-acetyladenosine?
The CAS number of 8-bromo-2',3',5'-tri-O-acetyladenosine is 31281-86-4.
What is the molecular formula of 8-bromo-2',3',5'-tri-O-acetyladenosine?
The molecular formula of 8-bromo-2',3',5'-tri-O-acetyladenosine is C16H18BrN5O7.
What is the molecular weight of 8-bromo-2',3',5'-tri-O-acetyladenosine?
The molecular weight of 8-bromo-2',3',5'-tri-O-acetyladenosine is 471.04 g/mol.
Where can I buy 8-bromo-2',3',5'-tri-O-acetyladenosine?
You can request a quote for 8-bromo-2',3',5'-tri-O-acetyladenosine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-bromo-2',3',5'-tri-O-acetyladenosine?
Yes, KEHONG BIO provides custom synthesis services for 8-bromo-2',3',5'-tri-O-acetyladenosine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.