BAS 05021941
TL;DR: BAS 05021941 (CAS 370075-40-4) is a chemical compound with molecular formula C22H19FN4O5 and molecular weight 438.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-(1,3-benzodioxol-5-ylmethoxy)-1-[(4-fluorophenyl)methyl]-3,7-dimethylpurine-2,6-dione
Also Known As: BAS 05021941, 8-(1,3-benzodioxol-5-ylmethoxy)-1-[(4-fluorophenyl)methyl]-3,7-dimethylpurine-2,6-dione, 8-(1,3-benzodioxol-5-ylmethoxy)-1-(4-fluorobenzyl)-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione, 8-(benzo[d][1,3]dioxol-5-ylmethoxy)-1-(4-fluorobenzyl)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione, 8-[(2H-1,3-BENZODIOXOL-5-YL)METHOXY]-1-[(4-FLUOROPHENYL)METHYL]-3,7-DIMETHYL-2,3,6,7-TETRAHYDRO-1H-PURINE-2,6-DIONE
| Molecular Formula | C22H19FN4O5 |
|---|---|
| Molecular Weight | 438.13 g/mol |
| LogP | 1.9288 |
| Topological Polar Surface Area | 89.51 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 438.13394 |
| Heavy Atoms | 32 |
| Complexity | 1452.6858 |
Chemical Identifiers
| CAS Number | 370075-40-4 |
|---|---|
| SMILES | CN1C2=C(N=C1OCC3=CC4=C(C=C3)OCO4)N(C(=O)N(C2=O)CC5=CC=C(C=C5)F)C |
Product Overview
BAS 05021941 (CAS 370075-40-4), with molecular formula C22H19FN4O5 and molecular weight 438.13 g/mol. IUPAC: 8-(1,3-benzodioxol-5-ylmethoxy)-1-[(4-fluorophenyl)methyl]-3,7-dimethylpurine-2,6-dione.
Chemical Property Profile of BAS 05021941
Property Insights of BAS 05021941
The XLogP value of 1.9288 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 05021941. The TPSA of 89.51 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 05021941. Following Lipinski's Rule of Five, BAS 05021941 has 0 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 05021941?
The CAS number of BAS 05021941 is 370075-40-4.
What is the molecular formula of BAS 05021941?
The molecular formula of BAS 05021941 is C22H19FN4O5.
What is the molecular weight of BAS 05021941?
The molecular weight of BAS 05021941 is 438.13 g/mol.
Where can I buy BAS 05021941?
You can request a quote for BAS 05021941 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 05021941?
Yes, KEHONG BIO provides custom synthesis services for BAS 05021941 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.