3-methyl-8-((3-phenylpropyl)thio)-7-propyl-1H-purine-2,6(3H,7H)-dione
TL;DR: 3-methyl-8-((3-phenylpropyl)thio)-7-propyl-1H-purine-2,6(3H,7H)-dione (CAS 313470-76-7) is a chemical compound with molecular formula C18H22N4O2S and molecular weight 358.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-8-(3-phenylpropylsulfanyl)-7-propylpurine-2,6-dione
Also Known As: ChemDiv3_004261, IDI1_022171, 3-methyl-8-((3-phenylpropyl)thio)-7-propyl-1H-purine-2,6(3H,7H)-dione, BRD-K09469963-001-01-6, 3-methyl-8-(3-phenylpropylsulfanyl)-7-propylpurine-2,6-dione
| Molecular Formula | C18H22N4O2S |
|---|---|
| Molecular Weight | 358.15 g/mol |
| LogP | 2.5582 |
| Topological Polar Surface Area | 72.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 358.14636 |
| Heavy Atoms | 25 |
| Complexity | 972.39014 |
Chemical Identifiers
| CAS Number | 313470-76-7 |
|---|---|
| SMILES | CCCN1C2=C(N=C1SCCCC3=CC=CC=C3)N(C(=O)NC2=O)C |
Product Overview
3-methyl-8-((3-phenylpropyl)thio)-7-propyl-1H-purine-2,6(3H,7H)-dione (CAS 313470-76-7), with molecular formula C18H22N4O2S and molecular weight 358.15 g/mol. IUPAC: 3-methyl-8-(3-phenylpropylsulfanyl)-7-propylpurine-2,6-dione.
Chemical Property Profile of 3-methyl-8-((3-phenylpropyl)thio)-7-propyl-1H-purine-2,6(3H,7H)-dione
Property Insights of 3-methyl-8-((3-phenylpropyl)thio)-7-propyl-1H-purine-2,6(3H,7H)-dione
The XLogP value of 2.5582 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-methyl-8-((3-phenylpropyl)thio)-7-propyl-1H-purine-2,6(3H,7H)-dione. The TPSA of 72.68 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-methyl-8-((3-phenylpropyl)thio)-7-propyl-1H-purine-2,6(3H,7H)-dione. Following Lipinski's Rule of Five, 3-methyl-8-((3-phenylpropyl)thio)-7-propyl-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-8-((3-phenylpropyl)thio)-7-propyl-1H-purine-2,6(3H,7H)-dione?
The CAS number of 3-methyl-8-((3-phenylpropyl)thio)-7-propyl-1H-purine-2,6(3H,7H)-dione is 313470-76-7.
What is the molecular formula of 3-methyl-8-((3-phenylpropyl)thio)-7-propyl-1H-purine-2,6(3H,7H)-dione?
The molecular formula of 3-methyl-8-((3-phenylpropyl)thio)-7-propyl-1H-purine-2,6(3H,7H)-dione is C18H22N4O2S.
What is the molecular weight of 3-methyl-8-((3-phenylpropyl)thio)-7-propyl-1H-purine-2,6(3H,7H)-dione?
The molecular weight of 3-methyl-8-((3-phenylpropyl)thio)-7-propyl-1H-purine-2,6(3H,7H)-dione is 358.15 g/mol.
Where can I buy 3-methyl-8-((3-phenylpropyl)thio)-7-propyl-1H-purine-2,6(3H,7H)-dione?
You can request a quote for 3-methyl-8-((3-phenylpropyl)thio)-7-propyl-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-8-((3-phenylpropyl)thio)-7-propyl-1H-purine-2,6(3H,7H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 3-methyl-8-((3-phenylpropyl)thio)-7-propyl-1H-purine-2,6(3H,7H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.