BAS 04358691
TL;DR: BAS 04358691 (CAS 536718-75-9) is a chemical compound with molecular formula C18H24N6O3 and molecular weight 372.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-[2-(dimethylamino)ethylamino]-3-methyl-7-(2-phenoxyethyl)purine-2,6-dione
Also Known As: BAS 04358691, 8-((2-(dimethylamino)ethyl)amino)-3-methyl-7-(2-phenoxyethyl)-1H-purine-2,6(3H,7H)-dione, 8-(2-dimethylaminoethylamino)-3-methyl-7-(2-phenoxyethyl)purine-2,6-dione, 8((2-(DIMETHYLAMINO)ET)AMINO)3-ME-7(2-PHENOXY-ET)3,7-DIHYDRO-1H-PURINE-2,6-DIONE, 8-{[2-(dimethylamino)ethyl]amino}-6-hydroxy-3-methyl-7-(2-phenoxyethyl)-3,7-dihydro-2H-purin-2-one
| Molecular Formula | C18H24N6O3 |
|---|---|
| Molecular Weight | 372.19 g/mol |
| LogP | 0.4758 |
| Topological Polar Surface Area | 97.18 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 372.19098 |
| Heavy Atoms | 27 |
| Complexity | 1019.2384 |
Chemical Identifiers
| CAS Number | 536718-75-9 |
|---|---|
| SMILES | CN1C2=C(C(=O)NC1=O)N(C(=N2)NCCN(C)C)CCOC3=CC=CC=C3 |
Product Overview
BAS 04358691 (CAS 536718-75-9), with molecular formula C18H24N6O3 and molecular weight 372.19 g/mol. IUPAC: 8-[2-(dimethylamino)ethylamino]-3-methyl-7-(2-phenoxyethyl)purine-2,6-dione.
Chemical Property Profile of BAS 04358691
Property Insights of BAS 04358691
The XLogP value of 0.4758 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 04358691. The TPSA of 97.18 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 04358691. Following Lipinski's Rule of Five, BAS 04358691 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 04358691?
The CAS number of BAS 04358691 is 536718-75-9.
What is the molecular formula of BAS 04358691?
The molecular formula of BAS 04358691 is C18H24N6O3.
What is the molecular weight of BAS 04358691?
The molecular weight of BAS 04358691 is 372.19 g/mol.
Where can I buy BAS 04358691?
You can request a quote for BAS 04358691 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 04358691?
Yes, KEHONG BIO provides custom synthesis services for BAS 04358691 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.