BAS 09857772
TL;DR: BAS 09857772 (CAS 850751-80-3) is a chemical compound with molecular formula C18H21FN6O2 and molecular weight 372.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[(4-fluorophenyl)methyl]-3-methyl-8-(4-methylpiperazin-1-yl)purine-2,6-dione
Also Known As: BAS 09857772, 7-(4-fluorobenzyl)-3-methyl-8-(4-methylpiperazin-1-yl)-1H-purine-2,6(3H,7H)-dione, F1687-0191, 7-[(4-fluorophenyl)methyl]-3-methyl-8-(4-methylpiperazin-1-yl)purine-2,6-dione, 7-(4-fluorobenzyl)-6-hydroxy-3-methyl-8-(4-methylpiperazin-1-yl)-3,7-dihydro-2H-purin-2-one
| Molecular Formula | C18H21FN6O2 |
|---|---|
| Molecular Weight | 372.17 g/mol |
| LogP | 0.3625 |
| Topological Polar Surface Area | 79.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 372.171 |
| Heavy Atoms | 27 |
| Complexity | 1089.9678 |
Chemical Identifiers
| CAS Number | 850751-80-3 |
|---|---|
| SMILES | CN1CCN(CC1)C2=NC3=C(N2CC4=CC=C(C=C4)F)C(=O)NC(=O)N3C |
Product Overview
BAS 09857772 (CAS 850751-80-3), with molecular formula C18H21FN6O2 and molecular weight 372.17 g/mol. IUPAC: 7-[(4-fluorophenyl)methyl]-3-methyl-8-(4-methylpiperazin-1-yl)purine-2,6-dione.
Chemical Property Profile of BAS 09857772
Property Insights of BAS 09857772
The XLogP value of 0.3625 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 09857772. The TPSA of 79.16 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 09857772. Following Lipinski's Rule of Five, BAS 09857772 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 BAS 09857772?
The CAS number of BAS 09857772 is 850751-80-3.
What is the molecular formula of BAS 09857772?
The molecular formula of BAS 09857772 is C18H21FN6O2.
What is the molecular weight of BAS 09857772?
The molecular weight of BAS 09857772 is 372.17 g/mol.
Where can I buy BAS 09857772?
You can request a quote for BAS 09857772 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 09857772?
Yes, KEHONG BIO provides custom synthesis services for BAS 09857772 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.