BAS 00964951
TL;DR: BAS 00964951 (CAS 333769-31-6) is a chemical compound with molecular formula C17H16BrN7O4 and molecular weight 461.0447 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
8-[(5-bromo-2-hydroxy-1H-indol-3-yl)diazenyl]-7-(2-methoxyethyl)-3-methylpurine-2,6-dione
Also Known As: BAS 00964951, (E)-8-(2-(5-bromo-2-oxoindolin-3-ylidene)hydrazinyl)-7-(2-methoxyethyl)-3-methyl-1H-purine-2,6(3H,7H)-dione, 8-[(2E)-2-(5-bromo-2-oxo-1,2-dihydro-3H-indol-3-ylidene)hydrazinyl]-7-(2-methoxyethyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione, 8-[2-(5-bromo-2-oxoindol-3-yl)hydrazinyl]-7-(2-methoxyethyl)-3-methylpurine-2,6-dione, 8-[(2Z)-2-(5-BROMO-2-OXO-1,2-DIHYDRO-3H-INDOL-3-YLIDENE)HYDRAZINO]-7-(2-METHOXYETHYL)-3-METHYL-3,7-DIHYDRO-1H-PURINE-2,6-DIONE
Technical Specifications
| Molecular Formula | C17H16BrN7O4 |
| Molecular Weight | 461.0447 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 137.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 461.0447 Da |
| Heavy Atoms | 29 |
| Complexity | 682.0 |
| SMILES | CN1C2=C(C(=O)NC1=O)N(C(=N2)N=NC3=C(NC4=C3C=C(C=C4)Br)O)CCOC |
| InChIKey | LXZTZVWGEDOQKW-UHFFFAOYSA-N |
Chemical Property Profile of BAS 00964951
Property Insights of BAS 00964951
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00964951. The TPSA of 137.0 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00964951. Following Lipinski's Rule of Five, BAS 00964951 has 3 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 00964951?
The CAS number of BAS 00964951 is 333769-31-6.
What is the molecular formula of BAS 00964951?
The molecular formula of BAS 00964951 is C17H16BrN7O4.
What is the molecular weight of BAS 00964951?
The molecular weight of BAS 00964951 is 461.0447 g/mol.
Where can I buy BAS 00964951?
You can request a quote for BAS 00964951 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for BAS 00964951?
Yes, CoreyChem provides custom synthesis services for BAS 00964951 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.