BAS 12521161
TL;DR: BAS 12521161 (CAS 876898-85-0) is a chemical compound with molecular formula C20H24ClFN6O2 and molecular weight 434.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[(2-chloro-6-fluorophenyl)methyl]-8-[(4-ethylpiperazin-1-yl)methyl]-3-methylpurine-2,6-dione
Also Known As: BAS 12521161, 7-(2-chloro-6-fluorobenzyl)-8-[(4-ethylpiperazin-1-yl)methyl]-6-hydroxy-3-methyl-3,7-dihydro-2H-purin-2-one, 7-(2-chloro-6-fluorobenzyl)-8-((4-ethylpiperazin-1-yl)methyl)-3-methyl-1H-purine-2,6(3H,7H)-dione, 7-[(2-chloro-6-fluorophenyl)methyl]-8-[(4-ethylpiperazin-1-yl)methyl]-3-methylpurine-2,6-dione, 7-[(6-chloro-2-fluorophenyl)methyl]-8-[(4-ethylpiperazinyl)methyl]-3-methyl-1, 3,7-trihydropurine-2,6-dione
| Molecular Formula | C20H24ClFN6O2 |
|---|---|
| Molecular Weight | 434.16 g/mol |
| LogP | 1.4016 |
| Topological Polar Surface Area | 79.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 434.16333 |
| Heavy Atoms | 30 |
| Complexity | 1172.2004 |
Chemical Identifiers
| CAS Number | 876898-85-0 |
|---|---|
| SMILES | CCN1CCN(CC1)CC2=NC3=C(N2CC4=C(C=CC=C4Cl)F)C(=O)NC(=O)N3C |
Product Overview
BAS 12521161 (CAS 876898-85-0), with molecular formula C20H24ClFN6O2 and molecular weight 434.16 g/mol. IUPAC: 7-[(2-chloro-6-fluorophenyl)methyl]-8-[(4-ethylpiperazin-1-yl)methyl]-3-methylpurine-2,6-dione.
Chemical Property Profile of BAS 12521161
Property Insights of BAS 12521161
The XLogP value of 1.4016 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 12521161. The TPSA of 79.16 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 12521161. Following Lipinski's Rule of Five, BAS 12521161 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 12521161?
The CAS number of BAS 12521161 is 876898-85-0.
What is the molecular formula of BAS 12521161?
The molecular formula of BAS 12521161 is C20H24ClFN6O2.
What is the molecular weight of BAS 12521161?
The molecular weight of BAS 12521161 is 434.16 g/mol.
Where can I buy BAS 12521161?
You can request a quote for BAS 12521161 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 12521161?
Yes, KEHONG BIO provides custom synthesis services for BAS 12521161 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.