8-Bromoadenosine 2',3',5'-triacetate
TL;DR: 8-Bromoadenosine 2',3',5'-triacetate (CAS 15830-59-8) 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.
[3,4-diacetyloxy-5-(6-amino-8-bromopurin-9-yl)oxolan-2-yl]methyl acetate
Also Known As: 8-Bromoadenosine 2',3',5'-triacetate, EINECS 250-543-4, 8-Bromo-2',3',5'-tri-O-acetyladenosine, [3,4-diacetyloxy-5-(6-amino-8-bromopurin-9-yl)oxolan-2-yl]methyl acetate, 2,3,5-TRI-O-ACETYL-8-BROMOADENOSINE
| 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 | 15830-59-8 |
|---|---|
| SMILES | CC(=O)OCC1C(C(C(O1)N2C3=NC=NC(=C3N=C2Br)N)OC(=O)C)OC(=O)C |
| InChIKey | HRCLVNMFELGYPE-UHFFFAOYSA-N |
Product Overview
8-Bromoadenosine 2',3',5'-triacetate (CAS 15830-59-8), with molecular formula C16H18BrN5O7 and molecular weight 471.04 g/mol. IUPAC: [3,4-diacetyloxy-5-(6-amino-8-bromopurin-9-yl)oxolan-2-yl]methyl acetate.
Chemical Property Profile of 8-Bromoadenosine 2',3',5'-triacetate
Property Insights of 8-Bromoadenosine 2',3',5'-triacetate
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-Bromoadenosine 2',3',5'-triacetate. The TPSA of 158.0 Ų indicates high polarity, suggesting 8-Bromoadenosine 2',3',5'-triacetate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 8-Bromoadenosine 2',3',5'-triacetate 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-Bromoadenosine 2',3',5'-triacetate?
The CAS number of 8-Bromoadenosine 2',3',5'-triacetate is 15830-59-8.
What is the molecular formula of 8-Bromoadenosine 2',3',5'-triacetate?
The molecular formula of 8-Bromoadenosine 2',3',5'-triacetate is C16H18BrN5O7.
What is the molecular weight of 8-Bromoadenosine 2',3',5'-triacetate?
The molecular weight of 8-Bromoadenosine 2',3',5'-triacetate is 471.04 g/mol.
Where can I buy 8-Bromoadenosine 2',3',5'-triacetate?
You can request a quote for 8-Bromoadenosine 2',3',5'-triacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-Bromoadenosine 2',3',5'-triacetate?
Yes, KEHONG BIO provides custom synthesis services for 8-Bromoadenosine 2',3',5'-triacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.