8-((2-(4-butoxyphenyl)-2-oxoethyl)thio)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione
TL;DR: 8-((2-(4-butoxyphenyl)-2-oxoethyl)thio)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione (CAS 302552-38-1) is a chemical compound with molecular formula C19H22N4O4S and molecular weight 402.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-[2-(4-butoxyphenyl)-2-oxoethyl]sulfanyl-1,3-dimethyl-7H-purine-2,6-dione
Also Known As: ChemDiv1_016694, AB00672984-01, F1008-0036, AE-641/12845539, 8-((2-(4-butoxyphenyl)-2-oxoethyl)thio)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione
| Molecular Formula | C19H22N4O4S |
|---|---|
| Molecular Weight | 402.14 g/mol |
| LogP | 2.1142 |
| Topological Polar Surface Area | 98.98 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 402.13617 |
| Heavy Atoms | 28 |
| Complexity | 1111.8945 |
Chemical Identifiers
| CAS Number | 302552-38-1 |
|---|---|
| SMILES | CCCCOC1=CC=C(C=C1)C(=O)CSC2=NC3=C(N2)C(=O)N(C(=O)N3C)C |
Product Overview
8-((2-(4-butoxyphenyl)-2-oxoethyl)thio)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione (CAS 302552-38-1), with molecular formula C19H22N4O4S and molecular weight 402.14 g/mol. IUPAC: 8-[2-(4-butoxyphenyl)-2-oxoethyl]sulfanyl-1,3-dimethyl-7H-purine-2,6-dione.
Chemical Property Profile of 8-((2-(4-butoxyphenyl)-2-oxoethyl)thio)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione
Property Insights of 8-((2-(4-butoxyphenyl)-2-oxoethyl)thio)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione
The XLogP value of 2.1142 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-((2-(4-butoxyphenyl)-2-oxoethyl)thio)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione. The TPSA of 98.98 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-((2-(4-butoxyphenyl)-2-oxoethyl)thio)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione. Following Lipinski's Rule of Five, 8-((2-(4-butoxyphenyl)-2-oxoethyl)thio)-1,3-dimethyl-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 8-((2-(4-butoxyphenyl)-2-oxoethyl)thio)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione?
The CAS number of 8-((2-(4-butoxyphenyl)-2-oxoethyl)thio)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione is 302552-38-1.
What is the molecular formula of 8-((2-(4-butoxyphenyl)-2-oxoethyl)thio)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione?
The molecular formula of 8-((2-(4-butoxyphenyl)-2-oxoethyl)thio)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione is C19H22N4O4S.
What is the molecular weight of 8-((2-(4-butoxyphenyl)-2-oxoethyl)thio)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione?
The molecular weight of 8-((2-(4-butoxyphenyl)-2-oxoethyl)thio)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione is 402.14 g/mol.
Where can I buy 8-((2-(4-butoxyphenyl)-2-oxoethyl)thio)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione?
You can request a quote for 8-((2-(4-butoxyphenyl)-2-oxoethyl)thio)-1,3-dimethyl-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 8-((2-(4-butoxyphenyl)-2-oxoethyl)thio)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 8-((2-(4-butoxyphenyl)-2-oxoethyl)thio)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.