2-(1-Ethyl-2-hydroxyethylamino)-6-benzylamino-9-isopropylpurine
TL;DR: 2-(1-Ethyl-2-hydroxyethylamino)-6-benzylamino-9-isopropylpurine (CAS 186692-44-4) is a chemical compound with molecular formula C19H26N6O and molecular weight 354.2168 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[[6-(benzylamino)-9-propan-2-ylpurin-2-yl]amino]butan-1-ol
Also Known As: roscovitine, Seliciclib, Roscovitin, R-Roscovitine, (R)-roscovitine
Application Areas
Top 5 of 6 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C19H26N6O |
| Molecular Weight | 354.2168 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 87.9 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 354.2168 Da |
| Heavy Atoms | 26 |
| Complexity | 417.0 |
| SMILES | CCC(CO)NC1=NC(=C2C(=N1)N(C=N2)C(C)C)NCC3=CC=CC=C3 |
| InChIKey | BTIHMVBBUGXLCJ-UHFFFAOYSA-N |
Chemical Property Profile of 2-(1-Ethyl-2-hydroxyethylamino)-6-benzylamino-9-isopropylpurine
Property Insights of 2-(1-Ethyl-2-hydroxyethylamino)-6-benzylamino-9-isopropylpurine
The XLogP value of 3.2 indicates that 2-(1-Ethyl-2-hydroxyethylamino)-6-benzylamino-9-isopropylpurine 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 2-(1-Ethyl-2-hydroxyethylamino)-6-benzylamino-9-isopropylpurine. Following Lipinski's Rule of Five, 2-(1-Ethyl-2-hydroxyethylamino)-6-benzylamino-9-isopropylpurine 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
What is the CAS number of 2-(1-Ethyl-2-hydroxyethylamino)-6-benzylamino-9-isopropylpurine?
The CAS number of 2-(1-Ethyl-2-hydroxyethylamino)-6-benzylamino-9-isopropylpurine is 186692-44-4.
What is the molecular formula of 2-(1-Ethyl-2-hydroxyethylamino)-6-benzylamino-9-isopropylpurine?
The molecular formula of 2-(1-Ethyl-2-hydroxyethylamino)-6-benzylamino-9-isopropylpurine is C19H26N6O.
What is the molecular weight of 2-(1-Ethyl-2-hydroxyethylamino)-6-benzylamino-9-isopropylpurine?
The molecular weight of 2-(1-Ethyl-2-hydroxyethylamino)-6-benzylamino-9-isopropylpurine is 354.2168 g/mol.
Where can I buy 2-(1-Ethyl-2-hydroxyethylamino)-6-benzylamino-9-isopropylpurine?
You can request a quote for 2-(1-Ethyl-2-hydroxyethylamino)-6-benzylamino-9-isopropylpurine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-(1-Ethyl-2-hydroxyethylamino)-6-benzylamino-9-isopropylpurine?
Yes, CoreyChem provides custom synthesis services for 2-(1-Ethyl-2-hydroxyethylamino)-6-benzylamino-9-isopropylpurine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.