BAS 00162595
TL;DR: BAS 00162595 (CAS 105798-29-6) is a chemical compound with molecular formula C14H10BrClN4O3 and molecular weight 395.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
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
| Molecular Formula | C14H10BrClN4O3 |
|---|---|
| Molecular Weight | 395.96 g/mol |
| LogP | 1.7221 |
| Topological Polar Surface Area | 89.75 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 395.9625 |
| Heavy Atoms | 23 |
| Complexity | 1033.0875 |
Chemical Identifiers
| CAS Number | 105798-29-6 |
|---|---|
| SMILES | CN1C2=C(C(=O)NC1=O)N(C(=N2)Br)CC(=O)C3=CC=C(C=C3)Cl |
Product Overview
BAS 00162595 (CAS 105798-29-6), with molecular formula C14H10BrClN4O3 and molecular weight 395.96 g/mol. IUPAC: 8-bromo-7-[2-(4-chlorophenyl)-2-oxoethyl]-3-methylpurine-2,6-dione.
Chemical Property Profile of BAS 00162595
Property Insights of BAS 00162595
The XLogP value of 1.7221 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00162595. The TPSA of 89.75 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
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 395.96 g/mol.
Where can I buy BAS 00162595?
You can request a quote for BAS 00162595 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00162595?
Yes, KEHONG BIO provides custom synthesis services for BAS 00162595 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.