3-methyl-7-(2-oxo-2-phenylethyl)-8-(pyrrolidin-1-yl)-1H-purine-2,6(3H,7H)-dione
TL;DR: 3-methyl-7-(2-oxo-2-phenylethyl)-8-(pyrrolidin-1-yl)-1H-purine-2,6(3H,7H)-dione (CAS 716340-75-9) is a chemical compound with molecular formula C18H19N5O3 and molecular weight 353.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-7-phenacyl-8-pyrrolidin-1-ylpurine-2,6-dione
Also Known As: BAS 06503085, VU0489327-1, AB00674533-01, 3-methyl-7-phenacyl-8-pyrrolidin-1-ylpurine-2,6-dione, F1532-0009
| Molecular Formula | C18H19N5O3 |
|---|---|
| Molecular Weight | 353.15 g/mol |
| LogP | 0.9064 |
| Topological Polar Surface Area | 92.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 353.1488 |
| Heavy Atoms | 26 |
| Complexity | 1087.6974 |
Chemical Identifiers
| CAS Number | 716340-75-9 |
|---|---|
| SMILES | CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCCC3)CC(=O)C4=CC=CC=C4 |
Product Overview
3-methyl-7-(2-oxo-2-phenylethyl)-8-(pyrrolidin-1-yl)-1H-purine-2,6(3H,7H)-dione (CAS 716340-75-9), with molecular formula C18H19N5O3 and molecular weight 353.15 g/mol. IUPAC: 3-methyl-7-phenacyl-8-pyrrolidin-1-ylpurine-2,6-dione.
Chemical Property Profile of 3-methyl-7-(2-oxo-2-phenylethyl)-8-(pyrrolidin-1-yl)-1H-purine-2,6(3H,7H)-dione
Property Insights of 3-methyl-7-(2-oxo-2-phenylethyl)-8-(pyrrolidin-1-yl)-1H-purine-2,6(3H,7H)-dione
The XLogP value of 0.9064 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-methyl-7-(2-oxo-2-phenylethyl)-8-(pyrrolidin-1-yl)-1H-purine-2,6(3H,7H)-dione. The TPSA of 92.99 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-methyl-7-(2-oxo-2-phenylethyl)-8-(pyrrolidin-1-yl)-1H-purine-2,6(3H,7H)-dione. Following Lipinski's Rule of Five, 3-methyl-7-(2-oxo-2-phenylethyl)-8-(pyrrolidin-1-yl)-1H-purine-2,6(3H,7H)-dione 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 3-methyl-7-(2-oxo-2-phenylethyl)-8-(pyrrolidin-1-yl)-1H-purine-2,6(3H,7H)-dione?
The CAS number of 3-methyl-7-(2-oxo-2-phenylethyl)-8-(pyrrolidin-1-yl)-1H-purine-2,6(3H,7H)-dione is 716340-75-9.
What is the molecular formula of 3-methyl-7-(2-oxo-2-phenylethyl)-8-(pyrrolidin-1-yl)-1H-purine-2,6(3H,7H)-dione?
The molecular formula of 3-methyl-7-(2-oxo-2-phenylethyl)-8-(pyrrolidin-1-yl)-1H-purine-2,6(3H,7H)-dione is C18H19N5O3.
What is the molecular weight of 3-methyl-7-(2-oxo-2-phenylethyl)-8-(pyrrolidin-1-yl)-1H-purine-2,6(3H,7H)-dione?
The molecular weight of 3-methyl-7-(2-oxo-2-phenylethyl)-8-(pyrrolidin-1-yl)-1H-purine-2,6(3H,7H)-dione is 353.15 g/mol.
Where can I buy 3-methyl-7-(2-oxo-2-phenylethyl)-8-(pyrrolidin-1-yl)-1H-purine-2,6(3H,7H)-dione?
You can request a quote for 3-methyl-7-(2-oxo-2-phenylethyl)-8-(pyrrolidin-1-yl)-1H-purine-2,6(3H,7H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-methyl-7-(2-oxo-2-phenylethyl)-8-(pyrrolidin-1-yl)-1H-purine-2,6(3H,7H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 3-methyl-7-(2-oxo-2-phenylethyl)-8-(pyrrolidin-1-yl)-1H-purine-2,6(3H,7H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.