(2R,3S,4S,5R)-Regadenoson
TL;DR: (2R,3S,4S,5R)-Regadenoson (CAS 10147-12-3) is a chemical compound with molecular formula C10H12ClN5O4 and molecular weight 301.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R,3S,4S,5R)-2-(6-amino-2-chloropurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
Also Known As: 2-Chloroadenosine, Fludarabine Impurity 20, (2R,3S,4S,5R)-Regadenoson, 9.beta.-D-Arabinofuranosyl-2-chloroadenine, 6-Amino-2-chloro-9-beta-D-arabinofuranosyl-9H-purine
| Molecular Formula | C10H12ClN5O4 |
|---|---|
| Molecular Weight | 301.06 g/mol |
| LogP | -1.3266 |
| Topological Polar Surface Area | 139.54 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 2 |
| Exact Mass | 301.05777 |
| Heavy Atoms | 20 |
| Complexity | 649.8548 |
Chemical Identifiers
| CAS Number | 10147-12-3 |
|---|---|
| SMILES | C1=NC2=C(N=C(N=C2N1[C@H]3[C@H]([C@@H]([C@H](O3)CO)O)O)Cl)N |
Product Overview
(2R,3S,4S,5R)-Regadenoson (CAS 10147-12-3), with molecular formula C10H12ClN5O4 and molecular weight 301.06 g/mol. IUPAC: (2R,3S,4S,5R)-2-(6-amino-2-chloropurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol.
Chemical Property Profile of (2R,3S,4S,5R)-Regadenoson
Property Insights of (2R,3S,4S,5R)-Regadenoson
The XLogP value of -1.3266 indicates that (2R,3S,4S,5R)-Regadenoson is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 139.54 Ų falls within the moderate polarity range, balancing permeability and solubility for (2R,3S,4S,5R)-Regadenoson. Following Lipinski's Rule of Five, (2R,3S,4S,5R)-Regadenoson 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 (2R,3S,4S,5R)-Regadenoson?
The CAS number of (2R,3S,4S,5R)-Regadenoson is 10147-12-3.
What is the molecular formula of (2R,3S,4S,5R)-Regadenoson?
The molecular formula of (2R,3S,4S,5R)-Regadenoson is C10H12ClN5O4.
What is the molecular weight of (2R,3S,4S,5R)-Regadenoson?
The molecular weight of (2R,3S,4S,5R)-Regadenoson is 301.06 g/mol.
Where can I buy (2R,3S,4S,5R)-Regadenoson?
You can request a quote for (2R,3S,4S,5R)-Regadenoson directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2R,3S,4S,5R)-Regadenoson?
Yes, KEHONG BIO provides custom synthesis services for (2R,3S,4S,5R)-Regadenoson and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.