7-(2-ethoxyethyl)-3-methyl-8-(4-phenylpiperazin-1-yl)-1H-purine-2,6(3H,7H)-dione
TL;DR: 7-(2-ethoxyethyl)-3-methyl-8-(4-phenylpiperazin-1-yl)-1H-purine-2,6(3H,7H)-dione (CAS 442557-91-7) is a chemical compound with molecular formula C20H26N6O3 and molecular weight 398.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-(2-ethoxyethyl)-3-methyl-8-(4-phenylpiperazin-1-yl)purine-2,6-dione
Also Known As: BAS 04914630, UPCMLD0ENAT5730951:001, VU0309731-2, 7-(2-ethoxyethyl)-3-methyl-8-(4-phenylpiperazin-1-yl)-1H-purine-2,6(3H,7H)-dione, 7-(2-ethoxyethyl)-3-methyl-8-(4-phenylpiperazin-1-yl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione
| Molecular Formula | C20H26N6O3 |
|---|---|
| Molecular Weight | 398.21 g/mol |
| LogP | 0.7864 |
| Topological Polar Surface Area | 88.39 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 398.20663 |
| Heavy Atoms | 29 |
| Complexity | 1093.0874 |
Chemical Identifiers
| CAS Number | 442557-91-7 |
|---|---|
| SMILES | CCOCCN1C2=C(N=C1N3CCN(CC3)C4=CC=CC=C4)N(C(=O)NC2=O)C |
Product Overview
7-(2-ethoxyethyl)-3-methyl-8-(4-phenylpiperazin-1-yl)-1H-purine-2,6(3H,7H)-dione (CAS 442557-91-7), with molecular formula C20H26N6O3 and molecular weight 398.21 g/mol. IUPAC: 7-(2-ethoxyethyl)-3-methyl-8-(4-phenylpiperazin-1-yl)purine-2,6-dione.
Chemical Property Profile of 7-(2-ethoxyethyl)-3-methyl-8-(4-phenylpiperazin-1-yl)-1H-purine-2,6(3H,7H)-dione
Property Insights of 7-(2-ethoxyethyl)-3-methyl-8-(4-phenylpiperazin-1-yl)-1H-purine-2,6(3H,7H)-dione
The XLogP value of 0.7864 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-(2-ethoxyethyl)-3-methyl-8-(4-phenylpiperazin-1-yl)-1H-purine-2,6(3H,7H)-dione. The TPSA of 88.39 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-(2-ethoxyethyl)-3-methyl-8-(4-phenylpiperazin-1-yl)-1H-purine-2,6(3H,7H)-dione. Following Lipinski's Rule of Five, 7-(2-ethoxyethyl)-3-methyl-8-(4-phenylpiperazin-1-yl)-1H-purine-2,6(3H,7H)-dione has 1 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 7-(2-ethoxyethyl)-3-methyl-8-(4-phenylpiperazin-1-yl)-1H-purine-2,6(3H,7H)-dione?
The CAS number of 7-(2-ethoxyethyl)-3-methyl-8-(4-phenylpiperazin-1-yl)-1H-purine-2,6(3H,7H)-dione is 442557-91-7.
What is the molecular formula of 7-(2-ethoxyethyl)-3-methyl-8-(4-phenylpiperazin-1-yl)-1H-purine-2,6(3H,7H)-dione?
The molecular formula of 7-(2-ethoxyethyl)-3-methyl-8-(4-phenylpiperazin-1-yl)-1H-purine-2,6(3H,7H)-dione is C20H26N6O3.
What is the molecular weight of 7-(2-ethoxyethyl)-3-methyl-8-(4-phenylpiperazin-1-yl)-1H-purine-2,6(3H,7H)-dione?
The molecular weight of 7-(2-ethoxyethyl)-3-methyl-8-(4-phenylpiperazin-1-yl)-1H-purine-2,6(3H,7H)-dione is 398.21 g/mol.
Where can I buy 7-(2-ethoxyethyl)-3-methyl-8-(4-phenylpiperazin-1-yl)-1H-purine-2,6(3H,7H)-dione?
You can request a quote for 7-(2-ethoxyethyl)-3-methyl-8-(4-phenylpiperazin-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 7-(2-ethoxyethyl)-3-methyl-8-(4-phenylpiperazin-1-yl)-1H-purine-2,6(3H,7H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 7-(2-ethoxyethyl)-3-methyl-8-(4-phenylpiperazin-1-yl)-1H-purine-2,6(3H,7H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.