BAS 09857742
TL;DR: BAS 09857742 (CAS 876712-33-3) is a chemical compound with molecular formula C21H28N6O2 and molecular weight 396.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-(4-ethylpiperazin-1-yl)-1,3-dimethyl-7-(2-phenylethyl)purine-2,6-dione
Also Known As: BAS 09857742, 8-(4-ethylpiperazin-1-yl)-1,3-dimethyl-7-phenethylpurine-2,6-dione, 8-(4-ethylpiperazin-1-yl)-1,3-dimethyl-7-(2-phenylethyl)-3,7-dihydro-1H-purine-2,6-dione, 8-(4-ethylpiperazin-1-yl)-1,3-dimethyl-7-phenethyl-1H-purine-2,6(3H,7H)-dione
| Molecular Formula | C21H28N6O2 |
|---|---|
| Molecular Weight | 396.23 g/mol |
| LogP | 0.8183 |
| Topological Polar Surface Area | 68.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 396.2274 |
| Heavy Atoms | 29 |
| Complexity | 1120.0093 |
Chemical Identifiers
| CAS Number | 876712-33-3 |
|---|---|
| SMILES | CCN1CCN(CC1)C2=NC3=C(N2CCC4=CC=CC=C4)C(=O)N(C(=O)N3C)C |
Product Overview
BAS 09857742 (CAS 876712-33-3), with molecular formula C21H28N6O2 and molecular weight 396.23 g/mol. IUPAC: 8-(4-ethylpiperazin-1-yl)-1,3-dimethyl-7-(2-phenylethyl)purine-2,6-dione.
Chemical Property Profile of BAS 09857742
Property Insights of BAS 09857742
The XLogP value of 0.8183 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 09857742. The TPSA of 68.3 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 09857742. Following Lipinski's Rule of Five, BAS 09857742 has 0 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 09857742?
The CAS number of BAS 09857742 is 876712-33-3.
What is the molecular formula of BAS 09857742?
The molecular formula of BAS 09857742 is C21H28N6O2.
What is the molecular weight of BAS 09857742?
The molecular weight of BAS 09857742 is 396.23 g/mol.
Where can I buy BAS 09857742?
You can request a quote for BAS 09857742 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 09857742?
Yes, KEHONG BIO provides custom synthesis services for BAS 09857742 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.