8-(azepan-1-yl)-1,3-dimethyl-7-(1-oxo-1-phenyl-butan-2-yl)purine-2,6-dione
TL;DR: 8-(azepan-1-yl)-1,3-dimethyl-7-(1-oxo-1-phenyl-butan-2-yl)purine-2,6-dione (CAS 877803-74-2) is a chemical compound with molecular formula C23H29N5O3 and molecular weight 423.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-(azepan-1-yl)-1,3-dimethyl-7-(1-oxo-1-phenylbutan-2-yl)purine-2,6-dione
Also Known As: 8-(azepan-1-yl)-1,3-dimethyl-7-(1-oxo-1-phenyl-butan-2-yl)purine-2,6-dione, 8-(azepan-1-yl)-1,3-dimethyl-7-(1-oxo-1-phenylbutan-2-yl)-1H-purine-2,6(3H,7H)-dione, 8-(azepan-1-yl)-1,3-dimethyl-7-(1-oxo-1-phenylbutan-2-yl)purine-2,6-dione, 8-(azepan-1-yl)-1,3-dimethyl-7-(1-oxo-1-phenylbutan-2-yl)-3,7-dihydro-1H-purine-2,6-dione
| Molecular Formula | C23H29N5O3 |
|---|---|
| Molecular Weight | 423.23 g/mol |
| LogP | 2.6481 |
| Topological Polar Surface Area | 82.13 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 423.22705 |
| Heavy Atoms | 31 |
| Complexity | 1213.9683 |
Chemical Identifiers
| CAS Number | 877803-74-2 |
|---|---|
| SMILES | CCC(C(=O)C1=CC=CC=C1)N2C3=C(N=C2N4CCCCCC4)N(C(=O)N(C3=O)C)C |
Product Overview
8-(azepan-1-yl)-1,3-dimethyl-7-(1-oxo-1-phenyl-butan-2-yl)purine-2,6-dione (CAS 877803-74-2), with molecular formula C23H29N5O3 and molecular weight 423.23 g/mol. IUPAC: 8-(azepan-1-yl)-1,3-dimethyl-7-(1-oxo-1-phenylbutan-2-yl)purine-2,6-dione.
Chemical Property Profile of 8-(azepan-1-yl)-1,3-dimethyl-7-(1-oxo-1-phenyl-butan-2-yl)purine-2,6-dione
Property Insights of 8-(azepan-1-yl)-1,3-dimethyl-7-(1-oxo-1-phenyl-butan-2-yl)purine-2,6-dione
The XLogP value of 2.6481 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-(azepan-1-yl)-1,3-dimethyl-7-(1-oxo-1-phenyl-butan-2-yl)purine-2,6-dione. The TPSA of 82.13 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-(azepan-1-yl)-1,3-dimethyl-7-(1-oxo-1-phenyl-butan-2-yl)purine-2,6-dione. Following Lipinski's Rule of Five, 8-(azepan-1-yl)-1,3-dimethyl-7-(1-oxo-1-phenyl-butan-2-yl)purine-2,6-dione has 0 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 8-(azepan-1-yl)-1,3-dimethyl-7-(1-oxo-1-phenyl-butan-2-yl)purine-2,6-dione?
The CAS number of 8-(azepan-1-yl)-1,3-dimethyl-7-(1-oxo-1-phenyl-butan-2-yl)purine-2,6-dione is 877803-74-2.
What is the molecular formula of 8-(azepan-1-yl)-1,3-dimethyl-7-(1-oxo-1-phenyl-butan-2-yl)purine-2,6-dione?
The molecular formula of 8-(azepan-1-yl)-1,3-dimethyl-7-(1-oxo-1-phenyl-butan-2-yl)purine-2,6-dione is C23H29N5O3.
What is the molecular weight of 8-(azepan-1-yl)-1,3-dimethyl-7-(1-oxo-1-phenyl-butan-2-yl)purine-2,6-dione?
The molecular weight of 8-(azepan-1-yl)-1,3-dimethyl-7-(1-oxo-1-phenyl-butan-2-yl)purine-2,6-dione is 423.23 g/mol.
Where can I buy 8-(azepan-1-yl)-1,3-dimethyl-7-(1-oxo-1-phenyl-butan-2-yl)purine-2,6-dione?
You can request a quote for 8-(azepan-1-yl)-1,3-dimethyl-7-(1-oxo-1-phenyl-butan-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 8-(azepan-1-yl)-1,3-dimethyl-7-(1-oxo-1-phenyl-butan-2-yl)purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 8-(azepan-1-yl)-1,3-dimethyl-7-(1-oxo-1-phenyl-butan-2-yl)purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.