BAS 10853944
TL;DR: BAS 10853944 (CAS 851939-41-8) is a chemical compound with molecular formula C20H25FN6O2 and molecular weight 400.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[(2-fluorophenyl)methyl]-1,3-dimethyl-8-[(4-methylpiperazin-1-yl)methyl]purine-2,6-dione
Also Known As: BAS 10853944, UPCMLD0ENAT5837783:001, AB01288588-01, F0634-0347, 7-(2-fluorobenzyl)-1,3-dimethyl-8-[(4-methylpiperazin-1-yl)methyl]-3,7-dihydro-1H-purine-2,6-dione
| Molecular Formula | C20H25FN6O2 |
|---|---|
| Molecular Weight | 400.20 g/mol |
| LogP | 0.3685 |
| Topological Polar Surface Area | 68.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 400.2023 |
| Heavy Atoms | 29 |
| Complexity | 1170.1538 |
Chemical Identifiers
| CAS Number | 851939-41-8 |
|---|---|
| SMILES | CN1CCN(CC1)CC2=NC3=C(N2CC4=CC=CC=C4F)C(=O)N(C(=O)N3C)C |
Product Overview
BAS 10853944 (CAS 851939-41-8), with molecular formula C20H25FN6O2 and molecular weight 400.20 g/mol. IUPAC: 7-[(2-fluorophenyl)methyl]-1,3-dimethyl-8-[(4-methylpiperazin-1-yl)methyl]purine-2,6-dione.
Chemical Property Profile of BAS 10853944
Property Insights of BAS 10853944
The XLogP value of 0.3685 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 10853944. The TPSA of 68.3 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 10853944. Following Lipinski's Rule of Five, BAS 10853944 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 10853944?
The CAS number of BAS 10853944 is 851939-41-8.
What is the molecular formula of BAS 10853944?
The molecular formula of BAS 10853944 is C20H25FN6O2.
What is the molecular weight of BAS 10853944?
The molecular weight of BAS 10853944 is 400.20 g/mol.
Where can I buy BAS 10853944?
You can request a quote for BAS 10853944 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 10853944?
Yes, KEHONG BIO provides custom synthesis services for BAS 10853944 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.