BAS 00162595
TL;DR: BAS 00162595 (CAS 105798-29-6) is a chemical compound with molecular formula C14H10BrClN4O3 and molecular weight 395.9625 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
8-bromo-7-[2-(4-chlorophenyl)-2-oxoethyl]-3-methylpurine-2,6-dione
Also Known As: BAS 00162595, 8-bromo-7-[2-(4-chlorophenyl)-2-oxoethyl]-3-methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione, 8-bromo-7-[2-(4-chlorophenyl)-2-oxoethyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione, 8-bromo-7-[2-(4-chlorophenyl)-2-oxoethyl]-3-methylpurine-2,6-dione, 8-bromo-7-(2-(4-chlorophenyl)-2-oxoethyl)-3-methyl-1H-purine-2,6(3H,7H)-dione
Technical Specifications
| Molecular Formula | C14H10BrClN4O3 |
| Molecular Weight | 395.9625 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 84.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 395.9625 Da |
| Heavy Atoms | 23 |
| Complexity | 526.0 |
| SMILES | CN1C2=C(C(=O)NC1=O)N(C(=N2)Br)CC(=O)C3=CC=C(C=C3)Cl |
| InChIKey | DWSOPASDUQGIQC-UHFFFAOYSA-N |
Chemical Property Profile of BAS 00162595
Property Insights of BAS 00162595
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00162595. The TPSA of 84.3 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00162595. Following Lipinski's Rule of Five, BAS 00162595 has 1 hydrogen bond donor(s) and 4 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 00162595?
The CAS number of BAS 00162595 is 105798-29-6.
What is the molecular formula of BAS 00162595?
The molecular formula of BAS 00162595 is C14H10BrClN4O3.
What is the molecular weight of BAS 00162595?
The molecular weight of BAS 00162595 is 395.9625 g/mol.
Where can I buy BAS 00162595?
You can request a quote for BAS 00162595 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for BAS 00162595?
Yes, CoreyChem provides custom synthesis services for BAS 00162595 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.