Roscovitine
TL;DR: Roscovitine (CAS 214916-51-5) is a chemical compound with molecular formula C19H26N6O and molecular weight 354.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R)-2-[[6-(benzylamino)-9-propan-2-ylpurin-2-yl]amino]butan-1-ol
Also Known As: roscovitine, Seliciclib, R-Roscovitine, (R)-roscovitine, Roscovitin
| Molecular Formula | C19H26N6O |
|---|---|
| Molecular Weight | 354.22 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 87.9 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 354.2168 |
| Heavy Atoms | 26 |
| Complexity | 417.0 |
Chemical Identifiers
| CAS Number | 214916-51-5 |
|---|---|
| SMILES | CC[C@H](CO)NC1=NC(=C2C(=N1)N(C=N2)C(C)C)NCC3=CC=CC=C3 |
| InChIKey | BTIHMVBBUGXLCJ-OAHLLOKOSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Roscovitine (CAS 214916-51-5), with molecular formula C19H26N6O and molecular weight 354.22 g/mol. IUPAC: (2R)-2-[[6-(benzylamino)-9-propan-2-ylpurin-2-yl]amino]butan-1-ol.
Chemical Property Profile of Roscovitine
Property Insights of Roscovitine
The XLogP value of 3.2 indicates that Roscovitine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Roscovitine. Following Lipinski's Rule of Five, Roscovitine has 3 hydrogen bond donor(s) and 6 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 Roscovitine?
The CAS number of Roscovitine is 214916-51-5.
What is the molecular formula of Roscovitine?
The molecular formula of Roscovitine is C19H26N6O.
What is the molecular weight of Roscovitine?
The molecular weight of Roscovitine is 354.22 g/mol.
Where can I buy Roscovitine?
You can request a quote for Roscovitine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Roscovitine?
Yes, KEHONG BIO provides custom synthesis services for Roscovitine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.