BAS 12401062
TL;DR: BAS 12401062 (CAS 849920-83-8) is a chemical compound with molecular formula C19H23ClN6O3 and molecular weight 418.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[(4-chlorophenyl)methyl]-8-[4-(2-hydroxyethyl)piperazin-1-yl]-3-methylpurine-2,6-dione
Also Known As: BAS 12401062, 7-[(4-chlorophenyl)methyl]-8-[4-(2-hydroxyethyl)piperazin-1-yl]-3-methylpurine-2,6-dione, 7-(4-chlorobenzyl)-6-hydroxy-8-[4-(2-hydroxyethyl)piperazin-1-yl]-3-methyl-3,7-dihydro-2H-purin-2-one, 7-(4-chlorobenzyl)-8-(4-(2-hydroxyethyl)piperazin-1-yl)-3-methyl-1H-purine-2,6(3H,7H)-dione
| Molecular Formula | C19H23ClN6O3 |
|---|---|
| Molecular Weight | 418.15 g/mol |
| LogP | 0.2393 |
| Topological Polar Surface Area | 99.39 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 418.152 |
| Heavy Atoms | 29 |
| Complexity | 1125.7825 |
Chemical Identifiers
| CAS Number | 849920-83-8 |
|---|---|
| SMILES | CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCN(CC3)CCO)CC4=CC=C(C=C4)Cl |
Product Overview
BAS 12401062 (CAS 849920-83-8), with molecular formula C19H23ClN6O3 and molecular weight 418.15 g/mol. IUPAC: 7-[(4-chlorophenyl)methyl]-8-[4-(2-hydroxyethyl)piperazin-1-yl]-3-methylpurine-2,6-dione.
Chemical Property Profile of BAS 12401062
Property Insights of BAS 12401062
The XLogP value of 0.2393 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 12401062. The TPSA of 99.39 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 12401062. Following Lipinski's Rule of Five, BAS 12401062 has 2 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 12401062?
The CAS number of BAS 12401062 is 849920-83-8.
What is the molecular formula of BAS 12401062?
The molecular formula of BAS 12401062 is C19H23ClN6O3.
What is the molecular weight of BAS 12401062?
The molecular weight of BAS 12401062 is 418.15 g/mol.
Where can I buy BAS 12401062?
You can request a quote for BAS 12401062 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 12401062?
Yes, KEHONG BIO provides custom synthesis services for BAS 12401062 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.