BAS 12521580
TL;DR: BAS 12521580 (CAS 876900-49-1) is a chemical compound with molecular formula C21H25N5O4 and molecular weight 411.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-(2,4-dimethoxyphenyl)-1-methyl-3-(2-methylprop-2-enyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione
Also Known As: BAS 12521580, VU0489927-1, 9-(2,4-dimethoxyphenyl)-1-methyl-3-(2-methylallyl)-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione, F2013-0660, 9-(2,4-dimethoxyphenyl)-1-methyl-3-(2-methylprop-2-enyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione
| Molecular Formula | C21H25N5O4 |
|---|---|
| Molecular Weight | 411.19 g/mol |
| LogP | 2.0318 |
| Topological Polar Surface Area | 83.52 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 411.19064 |
| Heavy Atoms | 30 |
| Complexity | 1267.108 |
Chemical Identifiers
| CAS Number | 876900-49-1 |
|---|---|
| SMILES | CC(=C)CN1C(=O)C2=C(N=C3N2CCCN3C4=C(C=C(C=C4)OC)OC)N(C1=O)C |
Product Overview
BAS 12521580 (CAS 876900-49-1), with molecular formula C21H25N5O4 and molecular weight 411.19 g/mol. IUPAC: 9-(2,4-dimethoxyphenyl)-1-methyl-3-(2-methylprop-2-enyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione.
Chemical Property Profile of BAS 12521580
Property Insights of BAS 12521580
The XLogP value of 2.0318 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 12521580. The TPSA of 83.52 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 12521580. Following Lipinski's Rule of Five, BAS 12521580 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 12521580?
The CAS number of BAS 12521580 is 876900-49-1.
What is the molecular formula of BAS 12521580?
The molecular formula of BAS 12521580 is C21H25N5O4.
What is the molecular weight of BAS 12521580?
The molecular weight of BAS 12521580 is 411.19 g/mol.
Where can I buy BAS 12521580?
You can request a quote for BAS 12521580 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 12521580?
Yes, KEHONG BIO provides custom synthesis services for BAS 12521580 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.