5'-(4-Bromomethylbenzoyl)adenosine
TL;DR: 5'-(4-Bromomethylbenzoyl)adenosine (CAS 5333-02-8) is a chemical compound with molecular formula C18H18BrN5O5 and molecular weight 463.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R,3S,4R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl 4-(bromomethyl)benzoate
Also Known As: pBMBA, 5'-(4-Bromomethylbenzoyl)adenosine, 5'-o-[4-(bromomethyl)benzoyl]adenosine, Adenosine, 5'-(4-(bromomethyl)benzoate), [(2R,3S,4R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl 4-(bromomethyl)benzoate
| Molecular Formula | C18H18BrN5O5 |
|---|---|
| Molecular Weight | 463.05 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 146.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 463.04913 |
| Heavy Atoms | 29 |
| Complexity | 581.0 |
Chemical Identifiers
| CAS Number | 5333-02-8 |
|---|---|
| SMILES | C1=CC(=CC=C1CBr)C(=O)OC[C@@H]2[C@H]([C@H](C(O2)N3C=NC4=C(N=CN=C43)N)O)O |
| InChIKey | QZBYYFGXZFWZRN-IKYDMHQPSA-N |
Product Overview
5'-(4-Bromomethylbenzoyl)adenosine (CAS 5333-02-8), with molecular formula C18H18BrN5O5 and molecular weight 463.05 g/mol. IUPAC: [(2R,3S,4R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl 4-(bromomethyl)benzoate.
Chemical Property Profile of 5'-(4-Bromomethylbenzoyl)adenosine
Property Insights of 5'-(4-Bromomethylbenzoyl)adenosine
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5'-(4-Bromomethylbenzoyl)adenosine. The TPSA of 146.0 Ų indicates high polarity, suggesting 5'-(4-Bromomethylbenzoyl)adenosine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 5'-(4-Bromomethylbenzoyl)adenosine 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'-(4-Bromomethylbenzoyl)adenosine?
The CAS number of 5'-(4-Bromomethylbenzoyl)adenosine is 5333-02-8.
What is the molecular formula of 5'-(4-Bromomethylbenzoyl)adenosine?
The molecular formula of 5'-(4-Bromomethylbenzoyl)adenosine is C18H18BrN5O5.
What is the molecular weight of 5'-(4-Bromomethylbenzoyl)adenosine?
The molecular weight of 5'-(4-Bromomethylbenzoyl)adenosine is 463.05 g/mol.
Where can I buy 5'-(4-Bromomethylbenzoyl)adenosine?
You can request a quote for 5'-(4-Bromomethylbenzoyl)adenosine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5'-(4-Bromomethylbenzoyl)adenosine?
Yes, KEHONG BIO provides custom synthesis services for 5'-(4-Bromomethylbenzoyl)adenosine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.