BAS 13117412
TL;DR: BAS 13117412 (CAS 878431-86-8) 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.
7-[(2,4-dichlorophenyl)methyl]-8-(4-ethylpiperazin-1-yl)-3-methylpurine-2,6-dione
Also Known As: BAS 13117412, 7-(2,4-dichlorobenzyl)-8-(4-ethylpiperazin-1-yl)-3-methyl-1H-purine-2,6(3H,7H)-dione, F2636-0449, 7-[(2,4-dichlorophenyl)methyl]-8-(4-ethylpiperazin-1-yl)-3-methylpurine-2,6-dione, 7-(2,4-dichlorobenzyl)-8-(4-ethylpiperazin-1-yl)-6-hydroxy-3-methyl-3,7-dihydro-2H-purin-2-one
| Molecular Formula | C19H22Cl2N6O2 |
|---|---|
| Molecular Weight | 436.12 g/mol |
| LogP | 1.9203 |
| 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 | 878431-86-8 |
|---|---|
| SMILES | CCN1CCN(CC1)C2=NC3=C(N2CC4=C(C=C(C=C4)Cl)Cl)C(=O)NC(=O)N3C |
Product Overview
BAS 13117412 (CAS 878431-86-8), with molecular formula C19H22Cl2N6O2 and molecular weight 436.12 g/mol. IUPAC: 7-[(2,4-dichlorophenyl)methyl]-8-(4-ethylpiperazin-1-yl)-3-methylpurine-2,6-dione.
Chemical Property Profile of BAS 13117412
Property Insights of BAS 13117412
The XLogP value of 1.9203 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 13117412. The TPSA of 79.16 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 13117412. Following Lipinski's Rule of Five, BAS 13117412 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 13117412?
The CAS number of BAS 13117412 is 878431-86-8.
What is the molecular formula of BAS 13117412?
The molecular formula of BAS 13117412 is C19H22Cl2N6O2.
What is the molecular weight of BAS 13117412?
The molecular weight of BAS 13117412 is 436.12 g/mol.
Where can I buy BAS 13117412?
You can request a quote for BAS 13117412 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 13117412?
Yes, KEHONG BIO provides custom synthesis services for BAS 13117412 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.