BAS 13116969
TL;DR: BAS 13116969 (CAS 878429-88-0) is a chemical compound with molecular formula C19H22Cl2N6O2 and molecular weight 436.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]-7-ethyl-3-methylpurine-2,6-dione
Also Known As: BAS 13116969, UPCMLD0ENAT5818641:001, 8-(4-(3,4-dichlorobenzyl)piperazin-1-yl)-7-ethyl-3-methyl-1H-purine-2,6(3H,7H)-dione, AB01300735-01, F2636-0012
| Molecular Formula | C19H22Cl2N6O2 |
|---|---|
| Molecular Weight | 436.12 g/mol |
| LogP | 2.0722 |
| Topological Polar Surface Area | 79.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 436.11813 |
| Heavy Atoms | 29 |
| Complexity | 1173.8817 |
Chemical Identifiers
| CAS Number | 878429-88-0 |
|---|---|
| SMILES | CCN1C2=C(N=C1N3CCN(CC3)CC4=CC(=C(C=C4)Cl)Cl)N(C(=O)NC2=O)C |
Product Overview
BAS 13116969 (CAS 878429-88-0), with molecular formula C19H22Cl2N6O2 and molecular weight 436.12 g/mol. IUPAC: 8-[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]-7-ethyl-3-methylpurine-2,6-dione.
Chemical Property Profile of BAS 13116969
Property Insights of BAS 13116969
The XLogP value of 2.0722 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 13116969. The TPSA of 79.16 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 13116969. Following Lipinski's Rule of Five, BAS 13116969 has 1 hydrogen bond donor(s) and 5 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 13116969?
The CAS number of BAS 13116969 is 878429-88-0.
What is the molecular formula of BAS 13116969?
The molecular formula of BAS 13116969 is C19H22Cl2N6O2.
What is the molecular weight of BAS 13116969?
The molecular weight of BAS 13116969 is 436.12 g/mol.
Where can I buy BAS 13116969?
You can request a quote for BAS 13116969 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 13116969?
Yes, KEHONG BIO provides custom synthesis services for BAS 13116969 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.