BAS 01122563
TL;DR: BAS 01122563 (CAS 313404-64-7) is a chemical compound with molecular formula C19H21ClN6O3 and molecular weight 416.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[2-(4-chlorophenyl)-2-oxoethyl]-3-methyl-8-(4-methylpiperazin-1-yl)purine-2,6-dione
Also Known As: BAS 01122563, VU0488346-1, 7-(2-(4-chlorophenyl)-2-oxoethyl)-3-methyl-8-(4-methylpiperazin-1-yl)-1H-purine-2,6(3H,7H)-dione, F0403-0044, 7-[2-(4-chlorophenyl)-2-oxoethyl]-3-methyl-8-(4-methylpiperazin-1-yl)purine-2,6-dione
| Molecular Formula | C19H21ClN6O3 |
|---|---|
| Molecular Weight | 416.14 g/mol |
| LogP | 0.7114 |
| Topological Polar Surface Area | 96.23 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 416.13635 |
| Heavy Atoms | 29 |
| Complexity | 1185.6053 |
Chemical Identifiers
| CAS Number | 313404-64-7 |
|---|---|
| SMILES | CN1CCN(CC1)C2=NC3=C(N2CC(=O)C4=CC=C(C=C4)Cl)C(=O)NC(=O)N3C |
Product Overview
BAS 01122563 (CAS 313404-64-7), with molecular formula C19H21ClN6O3 and molecular weight 416.14 g/mol. IUPAC: 7-[2-(4-chlorophenyl)-2-oxoethyl]-3-methyl-8-(4-methylpiperazin-1-yl)purine-2,6-dione.
Chemical Property Profile of BAS 01122563
Property Insights of BAS 01122563
The XLogP value of 0.7114 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 01122563. The TPSA of 96.23 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 01122563. Following Lipinski's Rule of Five, BAS 01122563 has 1 hydrogen bond donor(s) and 6 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 01122563?
The CAS number of BAS 01122563 is 313404-64-7.
What is the molecular formula of BAS 01122563?
The molecular formula of BAS 01122563 is C19H21ClN6O3.
What is the molecular weight of BAS 01122563?
The molecular weight of BAS 01122563 is 416.14 g/mol.
Where can I buy BAS 01122563?
You can request a quote for BAS 01122563 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01122563?
Yes, KEHONG BIO provides custom synthesis services for BAS 01122563 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.