8-((3-hydroxypropyl)thio)-7-isopentyl-3-methyl-1H-purine-2,6(3H,7H)-dione
TL;DR: 8-((3-hydroxypropyl)thio)-7-isopentyl-3-methyl-1H-purine-2,6(3H,7H)-dione (CAS 442864-89-3) is a chemical compound with molecular formula C14H22N4O3S and molecular weight 326.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-(3-hydroxypropylsulfanyl)-3-methyl-7-(3-methylbutyl)purine-2,6-dione
Also Known As: BAS 04914710, 8-((3-hydroxypropyl)thio)-7-isopentyl-3-methyl-1H-purine-2,6(3H,7H)-dione, AB00673598-01, AB00673598-02, F1191-0102
| Molecular Formula | C14H22N4O3S |
|---|---|
| Molecular Weight | 326.14 g/mol |
| LogP | 0.9439 |
| Topological Polar Surface Area | 92.91 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 326.14127 |
| Heavy Atoms | 22 |
| Complexity | 759.75934 |
Chemical Identifiers
| CAS Number | 442864-89-3 |
|---|---|
| SMILES | CC(C)CCN1C2=C(N=C1SCCCO)N(C(=O)NC2=O)C |
Product Overview
8-((3-hydroxypropyl)thio)-7-isopentyl-3-methyl-1H-purine-2,6(3H,7H)-dione (CAS 442864-89-3), with molecular formula C14H22N4O3S and molecular weight 326.14 g/mol. IUPAC: 8-(3-hydroxypropylsulfanyl)-3-methyl-7-(3-methylbutyl)purine-2,6-dione.
Chemical Property Profile of 8-((3-hydroxypropyl)thio)-7-isopentyl-3-methyl-1H-purine-2,6(3H,7H)-dione
Property Insights of 8-((3-hydroxypropyl)thio)-7-isopentyl-3-methyl-1H-purine-2,6(3H,7H)-dione
The XLogP value of 0.9439 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-((3-hydroxypropyl)thio)-7-isopentyl-3-methyl-1H-purine-2,6(3H,7H)-dione. The TPSA of 92.91 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-((3-hydroxypropyl)thio)-7-isopentyl-3-methyl-1H-purine-2,6(3H,7H)-dione. Following Lipinski's Rule of Five, 8-((3-hydroxypropyl)thio)-7-isopentyl-3-methyl-1H-purine-2,6(3H,7H)-dione has 2 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 8-((3-hydroxypropyl)thio)-7-isopentyl-3-methyl-1H-purine-2,6(3H,7H)-dione?
The CAS number of 8-((3-hydroxypropyl)thio)-7-isopentyl-3-methyl-1H-purine-2,6(3H,7H)-dione is 442864-89-3.
What is the molecular formula of 8-((3-hydroxypropyl)thio)-7-isopentyl-3-methyl-1H-purine-2,6(3H,7H)-dione?
The molecular formula of 8-((3-hydroxypropyl)thio)-7-isopentyl-3-methyl-1H-purine-2,6(3H,7H)-dione is C14H22N4O3S.
What is the molecular weight of 8-((3-hydroxypropyl)thio)-7-isopentyl-3-methyl-1H-purine-2,6(3H,7H)-dione?
The molecular weight of 8-((3-hydroxypropyl)thio)-7-isopentyl-3-methyl-1H-purine-2,6(3H,7H)-dione is 326.14 g/mol.
Where can I buy 8-((3-hydroxypropyl)thio)-7-isopentyl-3-methyl-1H-purine-2,6(3H,7H)-dione?
You can request a quote for 8-((3-hydroxypropyl)thio)-7-isopentyl-3-methyl-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-((3-hydroxypropyl)thio)-7-isopentyl-3-methyl-1H-purine-2,6(3H,7H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 8-((3-hydroxypropyl)thio)-7-isopentyl-3-methyl-1H-purine-2,6(3H,7H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.