Aftin 4
TL;DR: Aftin 4 (CAS 866893-90-5) is a chemical compound with molecular formula C20H28N6O and molecular weight 368.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R)-2-[[6-[benzyl(methyl)amino]-9-propan-2-ylpurin-2-yl]amino]butan-1-ol
Also Known As: Aftin 4, Aftin4, N6-methyl-(R)-roscovitine, EX-A4242, (R)-2-((6-(benzyl(methyl)amino)-9-isopropyl-9H-purin-2-yl)amino)butan-1-ol
| Molecular Formula | C20H28N6O |
|---|---|
| Molecular Weight | 368.23 g/mol |
| LogP | 3.2264 |
| Topological Polar Surface Area | 79.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 368.23245 |
| Heavy Atoms | 27 |
| Complexity | 872.8143 |
Chemical Identifiers
| CAS Number | 866893-90-5 |
|---|---|
| SMILES | CC[C@H](CO)NC1=NC2=C(C(=N1)N(C)CC3=CC=CC=C3)N=CN2C(C)C |
Product Overview
Aftin 4 (CAS 866893-90-5), with molecular formula C20H28N6O and molecular weight 368.23 g/mol. IUPAC: (2R)-2-[[6-[benzyl(methyl)amino]-9-propan-2-ylpurin-2-yl]amino]butan-1-ol.
Chemical Property Profile of Aftin 4
Property Insights of Aftin 4
The XLogP value of 3.2264 indicates that Aftin 4 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Aftin 4. Following Lipinski's Rule of Five, Aftin 4 has 2 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 Aftin 4?
The CAS number of Aftin 4 is 866893-90-5.
What is the molecular formula of Aftin 4?
The molecular formula of Aftin 4 is C20H28N6O.
What is the molecular weight of Aftin 4?
The molecular weight of Aftin 4 is 368.23 g/mol.
Where can I buy Aftin 4?
You can request a quote for Aftin 4 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Aftin 4?
Yes, KEHONG BIO provides custom synthesis services for Aftin 4 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.