BAS 12401133
TL;DR: BAS 12401133 (CAS 850160-35-9) is a chemical compound with molecular formula C21H30N6O3 and molecular weight 414.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-[2-(diethylamino)ethylamino]-7-[2-(4-methoxyphenyl)ethyl]-3-methylpurine-2,6-dione
Also Known As: BAS 12401133, 8-((2-(diethylamino)ethyl)amino)-7-(4-methoxyphenethyl)-3-methyl-1H-purine-2,6(3H,7H)-dione, 8-(2-diethylaminoethylamino)-7-[2-(4-methoxyphenyl)ethyl]-3-methylpurine-2,6-dione, 8-{[2-(diethylamino)ethyl]amino}-6-hydroxy-7-[2-(4-methoxyphenyl)ethyl]-3-methyl-3,7-dihydro-2H-purin-2-one
| Molecular Formula | C21H30N6O3 |
|---|---|
| Molecular Weight | 414.24 g/mol |
| LogP | 1.4283 |
| Topological Polar Surface Area | 97.18 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 414.23795 |
| Heavy Atoms | 30 |
| Complexity | 1092.8577 |
Chemical Identifiers
| CAS Number | 850160-35-9 |
|---|---|
| SMILES | CCN(CC)CCNC1=NC2=C(N1CCC3=CC=C(C=C3)OC)C(=O)NC(=O)N2C |
Product Overview
BAS 12401133 (CAS 850160-35-9), with molecular formula C21H30N6O3 and molecular weight 414.24 g/mol. IUPAC: 8-[2-(diethylamino)ethylamino]-7-[2-(4-methoxyphenyl)ethyl]-3-methylpurine-2,6-dione.
Chemical Property Profile of BAS 12401133
Property Insights of BAS 12401133
The XLogP value of 1.4283 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 12401133. The TPSA of 97.18 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 12401133. Following Lipinski's Rule of Five, BAS 12401133 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 12401133?
The CAS number of BAS 12401133 is 850160-35-9.
What is the molecular formula of BAS 12401133?
The molecular formula of BAS 12401133 is C21H30N6O3.
What is the molecular weight of BAS 12401133?
The molecular weight of BAS 12401133 is 414.24 g/mol.
Where can I buy BAS 12401133?
You can request a quote for BAS 12401133 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 12401133?
Yes, KEHONG BIO provides custom synthesis services for BAS 12401133 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.