(2S,3R,4R,5R)-2-(6-amino-8-bromopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
TL;DR: (2S,3R,4R,5R)-2-(6-amino-8-bromopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol (CAS 16097-09-9) is a chemical compound with molecular formula C10H12BrN5O4 and molecular weight 345.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3R,4R,5R)-2-(6-amino-8-bromopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
Also Known As: 8-Bromo-xyloa, 8-Bromoadenosine, 8-Bromo-9-beta-D-xylofuranosyladenine, 8-bromo-9-pentofuranosyl-9h-purin-6-amine, 8-bromo-9-(
| Molecular Formula | C10H12BrN5O4 |
|---|---|
| Molecular Weight | 345.01 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 140.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 2 |
| Exact Mass | 345.00726 |
| Heavy Atoms | 20 |
| Complexity | 367.0 |
Chemical Identifiers
| CAS Number | 16097-09-9 |
|---|---|
| SMILES | C1=NC(=C2C(=N1)N(C(=N2)Br)[C@@H]3[C@@H]([C@H]([C@H](O3)CO)O)O)N |
| InChIKey | VJUPMOPLUQHMLE-ZUAPJGPHSA-N |
Product Overview
(2S,3R,4R,5R)-2-(6-amino-8-bromopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol (CAS 16097-09-9), with molecular formula C10H12BrN5O4 and molecular weight 345.01 g/mol. IUPAC: (2S,3R,4R,5R)-2-(6-amino-8-bromopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol.
Chemical Property Profile of (2S,3R,4R,5R)-2-(6-amino-8-bromopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
Property Insights of (2S,3R,4R,5R)-2-(6-amino-8-bromopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2S,3R,4R,5R)-2-(6-amino-8-bromopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol. The TPSA of 140.0 Ų indicates high polarity, suggesting (2S,3R,4R,5R)-2-(6-amino-8-bromopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (2S,3R,4R,5R)-2-(6-amino-8-bromopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol has 4 hydrogen bond donor(s) and 8 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 (2S,3R,4R,5R)-2-(6-amino-8-bromopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol?
The CAS number of (2S,3R,4R,5R)-2-(6-amino-8-bromopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol is 16097-09-9.
What is the molecular formula of (2S,3R,4R,5R)-2-(6-amino-8-bromopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol?
The molecular formula of (2S,3R,4R,5R)-2-(6-amino-8-bromopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol is C10H12BrN5O4.
What is the molecular weight of (2S,3R,4R,5R)-2-(6-amino-8-bromopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol?
The molecular weight of (2S,3R,4R,5R)-2-(6-amino-8-bromopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol is 345.01 g/mol.
Where can I buy (2S,3R,4R,5R)-2-(6-amino-8-bromopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol?
You can request a quote for (2S,3R,4R,5R)-2-(6-amino-8-bromopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2S,3R,4R,5R)-2-(6-amino-8-bromopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol?
Yes, KEHONG BIO provides custom synthesis services for (2S,3R,4R,5R)-2-(6-amino-8-bromopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.