BAS 02378897
TL;DR: BAS 02378897 (CAS 113550-82-6) 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]-1,3-dimethyl-7-(2-phenylethyl)purine-2,6-dione
Also Known As: BAS 02378897, 8-((2-(diethylamino)ethyl)amino)-1,3-dimethyl-7-phenethyl-1H-purine-2,6(3H,7H)-dione, F0823-0107, 8-{[2-(diethylamino)ethyl]amino}-1,3-dimethyl-7-(2-phenylethyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione, 8-{[2-(diethylamino)ethyl]amino}-1,3-dimethyl-7-(2-phenylethyl)-3,7-dihydro-1H-purine-2,6-dione
| Molecular Formula | C21H30N6O2 |
|---|---|
| Molecular Weight | 398.24 g/mol |
| LogP | 1.4301 |
| Topological Polar Surface Area | 77.09 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 398.243 |
| Heavy Atoms | 29 |
| Complexity | 1076.4749 |
Chemical Identifiers
| CAS Number | 113550-82-6 |
|---|---|
| SMILES | CCN(CC)CCNC1=NC2=C(N1CCC3=CC=CC=C3)C(=O)N(C(=O)N2C)C |
Product Overview
BAS 02378897 (CAS 113550-82-6), with molecular formula C21H30N6O2 and molecular weight 398.24 g/mol. IUPAC: 8-[2-(diethylamino)ethylamino]-1,3-dimethyl-7-(2-phenylethyl)purine-2,6-dione.
Chemical Property Profile of BAS 02378897
Property Insights of BAS 02378897
The XLogP value of 1.4301 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 02378897. The TPSA of 77.09 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 02378897. Following Lipinski's Rule of Five, BAS 02378897 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 02378897?
The CAS number of BAS 02378897 is 113550-82-6.
What is the molecular formula of BAS 02378897?
The molecular formula of BAS 02378897 is C21H30N6O2.
What is the molecular weight of BAS 02378897?
The molecular weight of BAS 02378897 is 398.24 g/mol.
Where can I buy BAS 02378897?
You can request a quote for BAS 02378897 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 02378897?
Yes, KEHONG BIO provides custom synthesis services for BAS 02378897 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.