BAS 05021937
TL;DR: BAS 05021937 (CAS 304880-53-3) is a chemical compound with molecular formula C21H19FN4O3 and molecular weight 394.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(2-fluorophenyl)methyl]-3,7-dimethyl-8-(4-methylphenoxy)purine-2,6-dione
Also Known As: BAS 05021937, 1-(2-Fluoro-benzyl)-3,7-dimethyl-8-p-tolyloxy-3,7-dihydro-purine-2,6-dione, 1-(2-fluorobenzyl)-3,7-dimethyl-8-(4-methylphenoxy)-3,7-dihydro-1H-purine-2,6-dione, 1-(2-fluorobenzyl)-3,7-dimethyl-8-(p-tolyloxy)-1H-purine-2,6(3H,7H)-dione, 1-[(2-fluorophenyl)methyl]-3,7-dimethyl-8-(4-methylphenoxy)purine-2,6-dione
| Molecular Formula | C21H19FN4O3 |
|---|---|
| Molecular Weight | 394.14 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 67.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 394.1441 |
| Heavy Atoms | 29 |
| Complexity | 627.0 |
Chemical Identifiers
| CAS Number | 304880-53-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)OC2=NC3=C(N2C)C(=O)N(C(=O)N3C)CC4=CC=CC=C4F |
| InChIKey | HCEWBAHRHHUCSV-UHFFFAOYSA-N |
Product Overview
BAS 05021937 (CAS 304880-53-3), with molecular formula C21H19FN4O3 and molecular weight 394.14 g/mol. IUPAC: 1-[(2-fluorophenyl)methyl]-3,7-dimethyl-8-(4-methylphenoxy)purine-2,6-dione.
Chemical Property Profile of BAS 05021937
Property Insights of BAS 05021937
The XLogP value of 3.4 indicates that BAS 05021937 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.7 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 05021937. Following Lipinski's Rule of Five, BAS 05021937 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 05021937?
The CAS number of BAS 05021937 is 304880-53-3.
What is the molecular formula of BAS 05021937?
The molecular formula of BAS 05021937 is C21H19FN4O3.
What is the molecular weight of BAS 05021937?
The molecular weight of BAS 05021937 is 394.14 g/mol.
Where can I buy BAS 05021937?
You can request a quote for BAS 05021937 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 05021937?
Yes, KEHONG BIO provides custom synthesis services for BAS 05021937 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.