BAS 09857664
TL;DR: BAS 09857664 (CAS 850159-88-5) is a chemical compound with molecular formula C20H26N6O3 and molecular weight 398.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-(2-hydroxy-2-phenylethyl)-1,3-dimethyl-8-(4-methylpiperazin-1-yl)purine-2,6-dione
Also Known As: BAS 09857664, 7-(2-hydroxy-2-phenylethyl)-1,3-dimethyl-8-(4-methylpiperazin-1-yl)purine-2,6-dione, 7-(2-hydroxy-2-phenylethyl)-1,3-dimethyl-8-(4-methylpiperazin-1-yl)-3,7-dihydro-1H-purine-2,6-dione, 7-(2-hydroxy-2-phenylethyl)-1,3-dimethyl-8-(4-methylpiperazin-1-yl)-1H-purine-2,6(3H,7H)-dione
| Molecular Formula | C20H26N6O3 |
|---|---|
| Molecular Weight | 398.21 g/mol |
| LogP | -0.0809 |
| Topological Polar Surface Area | 88.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 398.20663 |
| Heavy Atoms | 29 |
| Complexity | 1138.9634 |
Chemical Identifiers
| CAS Number | 850159-88-5 |
|---|---|
| SMILES | CN1CCN(CC1)C2=NC3=C(N2CC(C4=CC=CC=C4)O)C(=O)N(C(=O)N3C)C |
Product Overview
BAS 09857664 (CAS 850159-88-5), with molecular formula C20H26N6O3 and molecular weight 398.21 g/mol. IUPAC: 7-(2-hydroxy-2-phenylethyl)-1,3-dimethyl-8-(4-methylpiperazin-1-yl)purine-2,6-dione.
Chemical Property Profile of BAS 09857664
Property Insights of BAS 09857664
The XLogP value of -0.0809 indicates that BAS 09857664 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 88.53 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 09857664. Following Lipinski's Rule of Five, BAS 09857664 has 1 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 BAS 09857664?
The CAS number of BAS 09857664 is 850159-88-5.
What is the molecular formula of BAS 09857664?
The molecular formula of BAS 09857664 is C20H26N6O3.
What is the molecular weight of BAS 09857664?
The molecular weight of BAS 09857664 is 398.21 g/mol.
Where can I buy BAS 09857664?
You can request a quote for BAS 09857664 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 09857664?
Yes, KEHONG BIO provides custom synthesis services for BAS 09857664 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.