1,3,7-trimethyl-8-((2-((2-oxo-2H-chromen-7-yl)oxy)ethyl)thio)-1H-purine-2,6(3H,7H)-dione
TL;DR: 1,3,7-trimethyl-8-((2-((2-oxo-2H-chromen-7-yl)oxy)ethyl)thio)-1H-purine-2,6(3H,7H)-dione (CAS 632299-06-0) is a chemical compound with molecular formula C19H18N4O5S and molecular weight 414.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3,7-trimethyl-8-[2-(2-oxochromen-7-yl)oxyethylsulfanyl]purine-2,6-dione
Also Known As: 1,3,7-trimethyl-8-((2-((2-oxo-2H-chromen-7-yl)oxy)ethyl)thio)-1H-purine-2,6(3H,7H)-dione, 1,3,7-trimethyl-8-[2-(2-oxochromen-7-yl)oxyethylsulfanyl]purine-2,6-dione, 1,3,7-trimethyl-8-({2-[(2-oxo-2H-chromen-7-yl)oxy]ethyl}sulfanyl)-3,7-dihydro-1H-purine-2,6-dione
| Molecular Formula | C19H18N4O5S |
|---|---|
| Molecular Weight | 414.10 g/mol |
| LogP | 1.2482 |
| Topological Polar Surface Area | 101.26 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 414.0998 |
| Heavy Atoms | 29 |
| Complexity | 1412.6357 |
Chemical Identifiers
| CAS Number | 632299-06-0 |
|---|---|
| SMILES | CN1C2=C(N=C1SCCOC3=CC4=C(C=C3)C=CC(=O)O4)N(C(=O)N(C2=O)C)C |
Product Overview
1,3,7-trimethyl-8-((2-((2-oxo-2H-chromen-7-yl)oxy)ethyl)thio)-1H-purine-2,6(3H,7H)-dione (CAS 632299-06-0), with molecular formula C19H18N4O5S and molecular weight 414.10 g/mol. IUPAC: 1,3,7-trimethyl-8-[2-(2-oxochromen-7-yl)oxyethylsulfanyl]purine-2,6-dione.
Chemical Property Profile of 1,3,7-trimethyl-8-((2-((2-oxo-2H-chromen-7-yl)oxy)ethyl)thio)-1H-purine-2,6(3H,7H)-dione
Property Insights of 1,3,7-trimethyl-8-((2-((2-oxo-2H-chromen-7-yl)oxy)ethyl)thio)-1H-purine-2,6(3H,7H)-dione
The XLogP value of 1.2482 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3,7-trimethyl-8-((2-((2-oxo-2H-chromen-7-yl)oxy)ethyl)thio)-1H-purine-2,6(3H,7H)-dione. The TPSA of 101.26 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3,7-trimethyl-8-((2-((2-oxo-2H-chromen-7-yl)oxy)ethyl)thio)-1H-purine-2,6(3H,7H)-dione. Following Lipinski's Rule of Five, 1,3,7-trimethyl-8-((2-((2-oxo-2H-chromen-7-yl)oxy)ethyl)thio)-1H-purine-2,6(3H,7H)-dione has 0 hydrogen bond donor(s) and 7 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 1,3,7-trimethyl-8-((2-((2-oxo-2H-chromen-7-yl)oxy)ethyl)thio)-1H-purine-2,6(3H,7H)-dione?
The CAS number of 1,3,7-trimethyl-8-((2-((2-oxo-2H-chromen-7-yl)oxy)ethyl)thio)-1H-purine-2,6(3H,7H)-dione is 632299-06-0.
What is the molecular formula of 1,3,7-trimethyl-8-((2-((2-oxo-2H-chromen-7-yl)oxy)ethyl)thio)-1H-purine-2,6(3H,7H)-dione?
The molecular formula of 1,3,7-trimethyl-8-((2-((2-oxo-2H-chromen-7-yl)oxy)ethyl)thio)-1H-purine-2,6(3H,7H)-dione is C19H18N4O5S.
What is the molecular weight of 1,3,7-trimethyl-8-((2-((2-oxo-2H-chromen-7-yl)oxy)ethyl)thio)-1H-purine-2,6(3H,7H)-dione?
The molecular weight of 1,3,7-trimethyl-8-((2-((2-oxo-2H-chromen-7-yl)oxy)ethyl)thio)-1H-purine-2,6(3H,7H)-dione is 414.10 g/mol.
Where can I buy 1,3,7-trimethyl-8-((2-((2-oxo-2H-chromen-7-yl)oxy)ethyl)thio)-1H-purine-2,6(3H,7H)-dione?
You can request a quote for 1,3,7-trimethyl-8-((2-((2-oxo-2H-chromen-7-yl)oxy)ethyl)thio)-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 1,3,7-trimethyl-8-((2-((2-oxo-2H-chromen-7-yl)oxy)ethyl)thio)-1H-purine-2,6(3H,7H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 1,3,7-trimethyl-8-((2-((2-oxo-2H-chromen-7-yl)oxy)ethyl)thio)-1H-purine-2,6(3H,7H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.