BAS 05968883
TL;DR: BAS 05968883 (CAS 476481-94-4) is a chemical compound with molecular formula C21H30N6O2 and molecular weight 398.24 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-(3-phenylpropyl)purine-2,6-dione
Also Known As: BAS 05968883, 8-((2-(Diethylamino)ethyl)amino)-3-methyl-7-(3-phenylpropyl)-1H-purine-2,6(3H,7H)-dione, 8-{[2-(diethylamino)ethyl]amino}-3-methyl-7-(3-phenylpropyl)-3,7-dihydro-1H-purine-2,6-dione, 8-{[2-(diethylamino)ethyl]amino}-3-methyl-7-(3-phenylpropyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione, 8-(2-diethylaminoethylamino)-3-methyl-7-(3-phenylpropyl)purine-2,6-dione
| Molecular Formula | C21H30N6O2 |
|---|---|
| Molecular Weight | 398.24 g/mol |
| LogP | 1.8098 |
| Topological Polar Surface Area | 87.95 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 10 |
| Exact Mass | 398.243 |
| Heavy Atoms | 29 |
| Complexity | 1046.704 |
Chemical Identifiers
| CAS Number | 476481-94-4 |
|---|---|
| SMILES | CCN(CC)CCNC1=NC2=C(N1CCCC3=CC=CC=C3)C(=O)NC(=O)N2C |
Product Overview
BAS 05968883 (CAS 476481-94-4), with molecular formula C21H30N6O2 and molecular weight 398.24 g/mol. IUPAC: 8-[2-(diethylamino)ethylamino]-3-methyl-7-(3-phenylpropyl)purine-2,6-dione.
Chemical Property Profile of BAS 05968883
Property Insights of BAS 05968883
The XLogP value of 1.8098 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 05968883. The TPSA of 87.95 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 05968883. Following Lipinski's Rule of Five, BAS 05968883 has 2 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 05968883?
The CAS number of BAS 05968883 is 476481-94-4.
What is the molecular formula of BAS 05968883?
The molecular formula of BAS 05968883 is C21H30N6O2.
What is the molecular weight of BAS 05968883?
The molecular weight of BAS 05968883 is 398.24 g/mol.
Where can I buy BAS 05968883?
You can request a quote for BAS 05968883 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 05968883?
Yes, KEHONG BIO provides custom synthesis services for BAS 05968883 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.