BAS 12521940
TL;DR: BAS 12521940 (CAS 872627-68-4) is a chemical compound with molecular formula C22H23N7O2S and molecular weight 449.1634 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
8-(3,4-dihydro-1H-isoquinolin-2-yl)-3-methyl-7-(3-pyrimidin-2-ylsulfanylpropyl)purine-2,6-dione
Also Known As: BAS 12521940, UPCMLD0ENAT5825147:001, F1889-0360, 8-(3,4-dihydro-1H-isoquinolin-2-yl)-3-methyl-7-(3-pyrimidin-2-ylsulfanylpropyl)purine-2,6-dione, 8-(3,4-dihydroisoquinolin-2(1H)-yl)-3-methyl-7-(3-(pyrimidin-2-ylthio)propyl)-1H-purine-2,6(3H,7H)-dione
Technical Specifications
| Molecular Formula | C22H23N7O2S |
| Molecular Weight | 449.1634 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 122.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 449.1634 Da |
| Heavy Atoms | 32 |
| Complexity | 691.0 |
| SMILES | CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCC4=CC=CC=C4C3)CCCSC5=NC=CC=N5 |
| InChIKey | NOKYUWJOKOMNFK-UHFFFAOYSA-N |
Chemical Property Profile of BAS 12521940
Property Insights of BAS 12521940
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 12521940. The TPSA of 122.0 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 12521940. Following Lipinski's Rule of Five, BAS 12521940 has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of BAS 12521940?
The CAS number of BAS 12521940 is 872627-68-4.
What is the molecular formula of BAS 12521940?
The molecular formula of BAS 12521940 is C22H23N7O2S.
What is the molecular weight of BAS 12521940?
The molecular weight of BAS 12521940 is 449.1634 g/mol.
Where can I buy BAS 12521940?
You can request a quote for BAS 12521940 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for BAS 12521940?
Yes, CoreyChem provides custom synthesis services for BAS 12521940 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.