BAS 10854057
TL;DR: BAS 10854057 (CAS 851941-52-1) is a chemical compound with molecular formula C21H27FN6O3 and molecular weight 430.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-7-(3-hydroxypropyl)-1,3-dimethylpurine-2,6-dione
Also Known As: BAS 10854057, UPCMLD0ENAT5834876:001, 8-{[4-(2-fluorophenyl)piperazin-1-yl]methyl}-7-(3-hydroxypropyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione, F0634-0614, 8-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-7-(3-hydroxypropyl)-1,3-dimethylpurine-2,6-dione
| Molecular Formula | C21H27FN6O3 |
|---|---|
| Molecular Weight | 430.21 g/mol |
| LogP | 0.2774 |
| Topological Polar Surface Area | 88.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 430.21286 |
| Heavy Atoms | 31 |
| Complexity | 1206.271 |
Chemical Identifiers
| CAS Number | 851941-52-1 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)CN3CCN(CC3)C4=CC=CC=C4F)CCCO |
Product Overview
BAS 10854057 (CAS 851941-52-1), with molecular formula C21H27FN6O3 and molecular weight 430.21 g/mol. IUPAC: 8-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-7-(3-hydroxypropyl)-1,3-dimethylpurine-2,6-dione.
Chemical Property Profile of BAS 10854057
Property Insights of BAS 10854057
The XLogP value of 0.2774 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 10854057. The TPSA of 88.53 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 10854057. Following Lipinski's Rule of Five, BAS 10854057 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 10854057?
The CAS number of BAS 10854057 is 851941-52-1.
What is the molecular formula of BAS 10854057?
The molecular formula of BAS 10854057 is C21H27FN6O3.
What is the molecular weight of BAS 10854057?
The molecular weight of BAS 10854057 is 430.21 g/mol.
Where can I buy BAS 10854057?
You can request a quote for BAS 10854057 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 10854057?
Yes, KEHONG BIO provides custom synthesis services for BAS 10854057 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.