8-Bromoxanthosine
TL;DR: 8-Bromoxanthosine (CAS 3001-46-5) is a chemical compound with molecular formula C10H11BrN4O6 and molecular weight 361.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-bromo-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-purine-2,6-dione
Also Known As: 8-Bromoxanthosine, Xanthosine, 8-bromo-, 8-Bromoxanthosine ( 8-Br-Xao ), 8-Bromo-9-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-9H-purine-2,6-diol, 221-081-0
| Molecular Formula | C10H11BrN4O6 |
|---|---|
| Molecular Weight | 361.99 g/mol |
| LogP | -1.4 |
| Topological Polar Surface Area | 146.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 361.9862 |
| Heavy Atoms | 21 |
| Complexity | 467.0 |
Chemical Identifiers
| CAS Number | 3001-46-5 |
|---|---|
| SMILES | C([C@@H]1[C@H]([C@H]([C@@H](O1)N2C3=C(C(=O)NC(=O)N3)N=C2Br)O)O)O |
| InChIKey | YLAPSBFYSPSPLA-UMMCILCDSA-N |
Product Overview
8-Bromoxanthosine (CAS 3001-46-5), with molecular formula C10H11BrN4O6 and molecular weight 361.99 g/mol. IUPAC: 8-bromo-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-purine-2,6-dione.
Chemical Property Profile of 8-Bromoxanthosine
Property Insights of 8-Bromoxanthosine
The XLogP value of -1.4 indicates that 8-Bromoxanthosine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 146.0 Ų indicates high polarity, suggesting 8-Bromoxanthosine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 8-Bromoxanthosine has 5 hydrogen bond donor(s) and 7 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 8-Bromoxanthosine?
The CAS number of 8-Bromoxanthosine is 3001-46-5.
What is the molecular formula of 8-Bromoxanthosine?
The molecular formula of 8-Bromoxanthosine is C10H11BrN4O6.
What is the molecular weight of 8-Bromoxanthosine?
The molecular weight of 8-Bromoxanthosine is 361.99 g/mol.
Where can I buy 8-Bromoxanthosine?
You can request a quote for 8-Bromoxanthosine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-Bromoxanthosine?
Yes, KEHONG BIO provides custom synthesis services for 8-Bromoxanthosine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.