BAS 04358692
TL;DR: BAS 04358692 (CAS 536718-76-0) is a chemical compound with molecular formula C20H28N6O3 and molecular weight 400.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-[2-(diethylamino)ethylamino]-3-methyl-7-(2-phenoxyethyl)purine-2,6-dione
Also Known As: BAS 04358692, F1144-0062, 8-((2-(diethylamino)ethyl)amino)-3-methyl-7-(2-phenoxyethyl)-1H-purine-2,6(3H,7H)-dione, 8-{[2-(diethylamino)ethyl]amino}-3-methyl-7-(2-phenoxyethyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione, 8-(2-diethylaminoethylamino)-3-methyl-7-(2-phenoxyethyl)purine-2,6-dione
| Molecular Formula | C20H28N6O3 |
|---|---|
| Molecular Weight | 400.22 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 91.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 400.2223 |
| Heavy Atoms | 29 |
| Complexity | 552.0 |
Chemical Identifiers
| CAS Number | 536718-76-0 |
|---|---|
| SMILES | CCN(CC)CCNC1=NC2=C(N1CCOC3=CC=CC=C3)C(=O)NC(=O)N2C |
| InChIKey | GDNNXPDCFZRUHO-UHFFFAOYSA-N |
Product Overview
BAS 04358692 (CAS 536718-76-0), with molecular formula C20H28N6O3 and molecular weight 400.22 g/mol. IUPAC: 8-[2-(diethylamino)ethylamino]-3-methyl-7-(2-phenoxyethyl)purine-2,6-dione.
Chemical Property Profile of BAS 04358692
Property Insights of BAS 04358692
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 04358692. The TPSA of 91.7 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 04358692. Following Lipinski's Rule of Five, BAS 04358692 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 04358692?
The CAS number of BAS 04358692 is 536718-76-0.
What is the molecular formula of BAS 04358692?
The molecular formula of BAS 04358692 is C20H28N6O3.
What is the molecular weight of BAS 04358692?
The molecular weight of BAS 04358692 is 400.22 g/mol.
Where can I buy BAS 04358692?
You can request a quote for BAS 04358692 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 04358692?
Yes, KEHONG BIO provides custom synthesis services for BAS 04358692 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.