F2636-0387
TL;DR: F2636-0387 (CAS 898795-45-4) is a chemical compound with molecular formula C21H27ClN6O2 and molecular weight 430.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[(3-chlorophenyl)methyl]-3-methyl-8-[4-(2-methylpropyl)piperazin-1-yl]purine-2,6-dione
Also Known As: F2636-0387, 7-(3-chlorobenzyl)-8-(4-isobutylpiperazin-1-yl)-3-methyl-1H-purine-2,6(3H,7H)-dione, 7-[(3-chlorophenyl)methyl]-3-methyl-8-[4-(2-methylpropyl)piperazin-1-yl]purine-2,6-dione, 7-(3-chlorobenzyl)-6-hydroxy-3-methyl-8-[4-(2-methylpropyl)piperazin-1-yl]-3,7-dihydro-2H-purin-2-one
| Molecular Formula | C21H27ClN6O2 |
|---|---|
| Molecular Weight | 430.19 g/mol |
| LogP | 1.903 |
| Topological Polar Surface Area | 79.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 430.18842 |
| Heavy Atoms | 30 |
| Complexity | 1170.4338 |
Chemical Identifiers
| CAS Number | 898795-45-4 |
|---|---|
| SMILES | CC(C)CN1CCN(CC1)C2=NC3=C(N2CC4=CC(=CC=C4)Cl)C(=O)NC(=O)N3C |
Product Overview
F2636-0387 (CAS 898795-45-4), with molecular formula C21H27ClN6O2 and molecular weight 430.19 g/mol. IUPAC: 7-[(3-chlorophenyl)methyl]-3-methyl-8-[4-(2-methylpropyl)piperazin-1-yl]purine-2,6-dione.
Chemical Property Profile of F2636-0387
Property Insights of F2636-0387
The XLogP value of 1.903 suggests moderate lipophilicity, balancing water solubility and membrane permeability for F2636-0387. The TPSA of 79.16 Ų falls within the moderate polarity range, balancing permeability and solubility for F2636-0387. Following Lipinski's Rule of Five, F2636-0387 has 1 hydrogen bond donor(s) and 5 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 F2636-0387?
The CAS number of F2636-0387 is 898795-45-4.
What is the molecular formula of F2636-0387?
The molecular formula of F2636-0387 is C21H27ClN6O2.
What is the molecular weight of F2636-0387?
The molecular weight of F2636-0387 is 430.19 g/mol.
Where can I buy F2636-0387?
You can request a quote for F2636-0387 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F2636-0387?
Yes, KEHONG BIO provides custom synthesis services for F2636-0387 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.