BAS 00458075
TL;DR: BAS 00458075 (CAS 121511-65-7) is a chemical compound with molecular formula C19H22N6O4 and molecular weight 398.17026 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[8-[2-(3,4-dimethoxyphenyl)ethylamino]-3-methyl-2,6-dioxopurin-7-yl]propanenitrile
Also Known As: BAS 00458075, 3-(8-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-3-methyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)propanenitrile, 3-[8-[2-(3,4-dimethoxyphenyl)ethylamino]-3-methyl-2,6-dioxopurin-7-yl]propanenitrile, 3-(8-((3,4-dimethoxyphenethyl)amino)-3-methyl-2,6-dioxo-2,3-dihydro-1H-purin-7(6H)-yl)propanenitrile, 3-(8-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-3-methyl-2,6-dioxo-1,3,7-trihydropu rin-7-yl)propanenitrile
Technical Specifications
| Molecular Formula | C19H22N6O4 |
| Molecular Weight | 398.17026 g/mol |
| XLogP | 1.2 |
| Topological Polar Surface Area (TPSA) | 122.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 398.17026 Da |
| Heavy Atoms | 29 |
| Complexity | 652.0 |
| SMILES | CN1C2=C(C(=O)NC1=O)N(C(=N2)NCCC3=CC(=C(C=C3)OC)OC)CCC#N |
| InChIKey | NXYZNLJNFNSAEQ-UHFFFAOYSA-N |
Chemical Property Profile of BAS 00458075
Property Insights of BAS 00458075
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00458075. The TPSA of 122.0 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00458075. Following Lipinski's Rule of Five, BAS 00458075 has 2 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 00458075?
The CAS number of BAS 00458075 is 121511-65-7.
What is the molecular formula of BAS 00458075?
The molecular formula of BAS 00458075 is C19H22N6O4.
What is the molecular weight of BAS 00458075?
The molecular weight of BAS 00458075 is 398.17026 g/mol.
Where can I buy BAS 00458075?
You can request a quote for BAS 00458075 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for BAS 00458075?
Yes, CoreyChem provides custom synthesis services for BAS 00458075 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.