BAS 13117560
TL;DR: BAS 13117560 (CAS 878432-47-4) is a chemical compound with molecular formula C20H25FN6O3 and molecular weight 416.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-7-(2-methoxyethyl)-3-methylpurine-2,6-dione
Also Known As: BAS 13117560, UPCMLD0ENAT5821779:001, VU0491847-1, 8-(4-(4-fluorobenzyl)piperazin-1-yl)-7-(2-methoxyethyl)-3-methyl-1H-purine-2,6(3H,7H)-dione, AB01304775-01
| Molecular Formula | C20H25FN6O3 |
|---|---|
| Molecular Weight | 416.20 g/mol |
| LogP | 0.531 |
| Topological Polar Surface Area | 88.39 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 416.1972 |
| Heavy Atoms | 30 |
| Complexity | 1142.2887 |
Chemical Identifiers
| CAS Number | 878432-47-4 |
|---|---|
| SMILES | CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCN(CC3)CC4=CC=C(C=C4)F)CCOC |
Product Overview
BAS 13117560 (CAS 878432-47-4), with molecular formula C20H25FN6O3 and molecular weight 416.20 g/mol. IUPAC: 8-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-7-(2-methoxyethyl)-3-methylpurine-2,6-dione.
Chemical Property Profile of BAS 13117560
Property Insights of BAS 13117560
The XLogP value of 0.531 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 13117560. The TPSA of 88.39 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 13117560. Following Lipinski's Rule of Five, BAS 13117560 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 13117560?
The CAS number of BAS 13117560 is 878432-47-4.
What is the molecular formula of BAS 13117560?
The molecular formula of BAS 13117560 is C20H25FN6O3.
What is the molecular weight of BAS 13117560?
The molecular weight of BAS 13117560 is 416.20 g/mol.
Where can I buy BAS 13117560?
You can request a quote for BAS 13117560 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 13117560?
Yes, KEHONG BIO provides custom synthesis services for BAS 13117560 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.