1,3-Dimethyl-8-morpholin-4-yl-7-(1-oxo-1-phenylbutan-2-yl)purine-2,6-dione
TL;DR: 1,3-Dimethyl-8-morpholin-4-yl-7-(1-oxo-1-phenylbutan-2-yl)purine-2,6-dione (CAS 442673-38-3) is a chemical compound with molecular formula C21H25N5O4 and molecular weight 411.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-dimethyl-8-morpholin-4-yl-7-(1-oxo-1-phenylbutan-2-yl)purine-2,6-dione
Also Known As: AB01292255-01, A2859/0120515, 1,3-dimethyl-8-morpholin-4-yl-7-(1-oxo-1-phenylbutan-2-yl)purine-2,6-dione, 1,3-dimethyl-8-morpholino-7-(1-oxo-1-phenylbutan-2-yl)-1H-purine-2,6(3H,7H)-dione, 1,3-DIMETHYL-8-(MORPHOLIN-4-YL)-7-(1-OXO-1-PHENYLBUTAN-2-YL)-2,3,6,7-TETRAHYDRO-1H-PURINE-2,6-DIONE
| Molecular Formula | C21H25N5O4 |
|---|---|
| Molecular Weight | 411.19 g/mol |
| LogP | 1.1043 |
| Topological Polar Surface Area | 91.36 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 411.19064 |
| Heavy Atoms | 30 |
| Complexity | 1202.0902 |
Chemical Identifiers
| CAS Number | 442673-38-3 |
|---|---|
| SMILES | CCC(C(=O)C1=CC=CC=C1)N2C3=C(N=C2N4CCOCC4)N(C(=O)N(C3=O)C)C |
Product Overview
1,3-Dimethyl-8-morpholin-4-yl-7-(1-oxo-1-phenylbutan-2-yl)purine-2,6-dione (CAS 442673-38-3), with molecular formula C21H25N5O4 and molecular weight 411.19 g/mol. IUPAC: 1,3-dimethyl-8-morpholin-4-yl-7-(1-oxo-1-phenylbutan-2-yl)purine-2,6-dione.
Chemical Property Profile of 1,3-Dimethyl-8-morpholin-4-yl-7-(1-oxo-1-phenylbutan-2-yl)purine-2,6-dione
Property Insights of 1,3-Dimethyl-8-morpholin-4-yl-7-(1-oxo-1-phenylbutan-2-yl)purine-2,6-dione
The XLogP value of 1.1043 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Dimethyl-8-morpholin-4-yl-7-(1-oxo-1-phenylbutan-2-yl)purine-2,6-dione. The TPSA of 91.36 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Dimethyl-8-morpholin-4-yl-7-(1-oxo-1-phenylbutan-2-yl)purine-2,6-dione. Following Lipinski's Rule of Five, 1,3-Dimethyl-8-morpholin-4-yl-7-(1-oxo-1-phenylbutan-2-yl)purine-2,6-dione has 0 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 1,3-Dimethyl-8-morpholin-4-yl-7-(1-oxo-1-phenylbutan-2-yl)purine-2,6-dione?
The CAS number of 1,3-Dimethyl-8-morpholin-4-yl-7-(1-oxo-1-phenylbutan-2-yl)purine-2,6-dione is 442673-38-3.
What is the molecular formula of 1,3-Dimethyl-8-morpholin-4-yl-7-(1-oxo-1-phenylbutan-2-yl)purine-2,6-dione?
The molecular formula of 1,3-Dimethyl-8-morpholin-4-yl-7-(1-oxo-1-phenylbutan-2-yl)purine-2,6-dione is C21H25N5O4.
What is the molecular weight of 1,3-Dimethyl-8-morpholin-4-yl-7-(1-oxo-1-phenylbutan-2-yl)purine-2,6-dione?
The molecular weight of 1,3-Dimethyl-8-morpholin-4-yl-7-(1-oxo-1-phenylbutan-2-yl)purine-2,6-dione is 411.19 g/mol.
Where can I buy 1,3-Dimethyl-8-morpholin-4-yl-7-(1-oxo-1-phenylbutan-2-yl)purine-2,6-dione?
You can request a quote for 1,3-Dimethyl-8-morpholin-4-yl-7-(1-oxo-1-phenylbutan-2-yl)purine-2,6-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Dimethyl-8-morpholin-4-yl-7-(1-oxo-1-phenylbutan-2-yl)purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Dimethyl-8-morpholin-4-yl-7-(1-oxo-1-phenylbutan-2-yl)purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.