3-methyl-7-(3-phenylpropyl)-8-(phenylthio)-1H-purine-2,6(3H,7H)-dione
TL;DR: 3-methyl-7-(3-phenylpropyl)-8-(phenylthio)-1H-purine-2,6(3H,7H)-dione (CAS 673489-97-9) is a chemical compound with molecular formula C21H20N4O2S and molecular weight 392.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-7-(3-phenylpropyl)-8-phenylsulfanylpurine-2,6-dione
Also Known As: 3-methyl-7-(3-phenylpropyl)-8-(phenylthio)-1H-purine-2,6(3H,7H)-dione, AB00675521-01, AB00675521-02, 3-methyl-7-(3-phenylpropyl)-8-phenylsulfanylpurine-2,6-dione, F1614-0154
| Molecular Formula | C21H20N4O2S |
|---|---|
| Molecular Weight | 392.13 g/mol |
| LogP | 3.2073 |
| Topological Polar Surface Area | 72.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 392.1307 |
| Heavy Atoms | 28 |
| Complexity | 1210.3685 |
Chemical Identifiers
| CAS Number | 673489-97-9 |
|---|---|
| SMILES | CN1C2=C(C(=O)NC1=O)N(C(=N2)SC3=CC=CC=C3)CCCC4=CC=CC=C4 |
Product Overview
3-methyl-7-(3-phenylpropyl)-8-(phenylthio)-1H-purine-2,6(3H,7H)-dione (CAS 673489-97-9), with molecular formula C21H20N4O2S and molecular weight 392.13 g/mol. IUPAC: 3-methyl-7-(3-phenylpropyl)-8-phenylsulfanylpurine-2,6-dione.
Chemical Property Profile of 3-methyl-7-(3-phenylpropyl)-8-(phenylthio)-1H-purine-2,6(3H,7H)-dione
Property Insights of 3-methyl-7-(3-phenylpropyl)-8-(phenylthio)-1H-purine-2,6(3H,7H)-dione
The XLogP value of 3.2073 indicates that 3-methyl-7-(3-phenylpropyl)-8-(phenylthio)-1H-purine-2,6(3H,7H)-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.68 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-methyl-7-(3-phenylpropyl)-8-(phenylthio)-1H-purine-2,6(3H,7H)-dione. Following Lipinski's Rule of Five, 3-methyl-7-(3-phenylpropyl)-8-(phenylthio)-1H-purine-2,6(3H,7H)-dione has 1 hydrogen bond donor(s) and 4 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-(3-phenylpropyl)-8-(phenylthio)-1H-purine-2,6(3H,7H)-dione?
The CAS number of 3-methyl-7-(3-phenylpropyl)-8-(phenylthio)-1H-purine-2,6(3H,7H)-dione is 673489-97-9.
What is the molecular formula of 3-methyl-7-(3-phenylpropyl)-8-(phenylthio)-1H-purine-2,6(3H,7H)-dione?
The molecular formula of 3-methyl-7-(3-phenylpropyl)-8-(phenylthio)-1H-purine-2,6(3H,7H)-dione is C21H20N4O2S.
What is the molecular weight of 3-methyl-7-(3-phenylpropyl)-8-(phenylthio)-1H-purine-2,6(3H,7H)-dione?
The molecular weight of 3-methyl-7-(3-phenylpropyl)-8-(phenylthio)-1H-purine-2,6(3H,7H)-dione is 392.13 g/mol.
Where can I buy 3-methyl-7-(3-phenylpropyl)-8-(phenylthio)-1H-purine-2,6(3H,7H)-dione?
You can request a quote for 3-methyl-7-(3-phenylpropyl)-8-(phenylthio)-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-(3-phenylpropyl)-8-(phenylthio)-1H-purine-2,6(3H,7H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 3-methyl-7-(3-phenylpropyl)-8-(phenylthio)-1H-purine-2,6(3H,7H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.