1,3-dimethyl-8-((2-oxopropyl)thio)-7-(3-phenylpropyl)-1H-purine-2,6(3H,7H)-dione
TL;DR: 1,3-dimethyl-8-((2-oxopropyl)thio)-7-(3-phenylpropyl)-1H-purine-2,6(3H,7H)-dione (CAS 377060-18-9) is a chemical compound with molecular formula C19H22N4O3S and molecular weight 386.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-dimethyl-8-(2-oxopropylsulfanyl)-7-(3-phenylpropyl)purine-2,6-dione
Also Known As: BAS 03301947, UPCMLD0ENAT5731340:001, 1,3-dimethyl-8-((2-oxopropyl)thio)-7-(3-phenylpropyl)-1H-purine-2,6(3H,7H)-dione, AB00685695-01, F1167-0065
| Molecular Formula | C19H22N4O3S |
|---|---|
| Molecular Weight | 386.14 g/mol |
| LogP | 1.7476 |
| Topological Polar Surface Area | 78.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 386.14127 |
| Heavy Atoms | 27 |
| Complexity | 1096.0708 |
Chemical Identifiers
| CAS Number | 377060-18-9 |
|---|---|
| SMILES | CC(=O)CSC1=NC2=C(N1CCCC3=CC=CC=C3)C(=O)N(C(=O)N2C)C |
Product Overview
1,3-dimethyl-8-((2-oxopropyl)thio)-7-(3-phenylpropyl)-1H-purine-2,6(3H,7H)-dione (CAS 377060-18-9), with molecular formula C19H22N4O3S and molecular weight 386.14 g/mol. IUPAC: 1,3-dimethyl-8-(2-oxopropylsulfanyl)-7-(3-phenylpropyl)purine-2,6-dione.
Chemical Property Profile of 1,3-dimethyl-8-((2-oxopropyl)thio)-7-(3-phenylpropyl)-1H-purine-2,6(3H,7H)-dione
Property Insights of 1,3-dimethyl-8-((2-oxopropyl)thio)-7-(3-phenylpropyl)-1H-purine-2,6(3H,7H)-dione
The XLogP value of 1.7476 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-dimethyl-8-((2-oxopropyl)thio)-7-(3-phenylpropyl)-1H-purine-2,6(3H,7H)-dione. The TPSA of 78.89 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-dimethyl-8-((2-oxopropyl)thio)-7-(3-phenylpropyl)-1H-purine-2,6(3H,7H)-dione. Following Lipinski's Rule of Five, 1,3-dimethyl-8-((2-oxopropyl)thio)-7-(3-phenylpropyl)-1H-purine-2,6(3H,7H)-dione has 0 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 1,3-dimethyl-8-((2-oxopropyl)thio)-7-(3-phenylpropyl)-1H-purine-2,6(3H,7H)-dione?
The CAS number of 1,3-dimethyl-8-((2-oxopropyl)thio)-7-(3-phenylpropyl)-1H-purine-2,6(3H,7H)-dione is 377060-18-9.
What is the molecular formula of 1,3-dimethyl-8-((2-oxopropyl)thio)-7-(3-phenylpropyl)-1H-purine-2,6(3H,7H)-dione?
The molecular formula of 1,3-dimethyl-8-((2-oxopropyl)thio)-7-(3-phenylpropyl)-1H-purine-2,6(3H,7H)-dione is C19H22N4O3S.
What is the molecular weight of 1,3-dimethyl-8-((2-oxopropyl)thio)-7-(3-phenylpropyl)-1H-purine-2,6(3H,7H)-dione?
The molecular weight of 1,3-dimethyl-8-((2-oxopropyl)thio)-7-(3-phenylpropyl)-1H-purine-2,6(3H,7H)-dione is 386.14 g/mol.
Where can I buy 1,3-dimethyl-8-((2-oxopropyl)thio)-7-(3-phenylpropyl)-1H-purine-2,6(3H,7H)-dione?
You can request a quote for 1,3-dimethyl-8-((2-oxopropyl)thio)-7-(3-phenylpropyl)-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-dimethyl-8-((2-oxopropyl)thio)-7-(3-phenylpropyl)-1H-purine-2,6(3H,7H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 1,3-dimethyl-8-((2-oxopropyl)thio)-7-(3-phenylpropyl)-1H-purine-2,6(3H,7H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.