8-((3-hydroxypropyl)thio)-3-methyl-7-(2-methylallyl)-1H-purine-2,6(3H,7H)-dione
TL;DR: 8-((3-hydroxypropyl)thio)-3-methyl-7-(2-methylallyl)-1H-purine-2,6(3H,7H)-dione (CAS 442864-78-0) is a chemical compound with molecular formula C13H18N4O3S and molecular weight 310.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-(3-hydroxypropylsulfanyl)-3-methyl-7-(2-methylprop-2-enyl)purine-2,6-dione
Also Known As: UPCMLD0ENAT5731346:001, BAS 04914694, 8-((3-hydroxypropyl)thio)-3-methyl-7-(2-methylallyl)-1H-purine-2,6(3H,7H)-dione, AB00398276-04, F1191-0086
| Molecular Formula | C13H18N4O3S |
|---|---|
| Molecular Weight | 310.11 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 113.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 310.10995 |
| Heavy Atoms | 21 |
| Complexity | 445.0 |
Chemical Identifiers
| CAS Number | 442864-78-0 |
|---|---|
| SMILES | CC(=C)CN1C2=C(N=C1SCCCO)N(C(=O)NC2=O)C |
| InChIKey | DFJQXVSIKDOODI-UHFFFAOYSA-N |
Product Overview
8-((3-hydroxypropyl)thio)-3-methyl-7-(2-methylallyl)-1H-purine-2,6(3H,7H)-dione (CAS 442864-78-0), with molecular formula C13H18N4O3S and molecular weight 310.11 g/mol. IUPAC: 8-(3-hydroxypropylsulfanyl)-3-methyl-7-(2-methylprop-2-enyl)purine-2,6-dione.
Chemical Property Profile of 8-((3-hydroxypropyl)thio)-3-methyl-7-(2-methylallyl)-1H-purine-2,6(3H,7H)-dione
Property Insights of 8-((3-hydroxypropyl)thio)-3-methyl-7-(2-methylallyl)-1H-purine-2,6(3H,7H)-dione
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-((3-hydroxypropyl)thio)-3-methyl-7-(2-methylallyl)-1H-purine-2,6(3H,7H)-dione. The TPSA of 113.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-((3-hydroxypropyl)thio)-3-methyl-7-(2-methylallyl)-1H-purine-2,6(3H,7H)-dione. Following Lipinski's Rule of Five, 8-((3-hydroxypropyl)thio)-3-methyl-7-(2-methylallyl)-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)-3-methyl-7-(2-methylallyl)-1H-purine-2,6(3H,7H)-dione?
The CAS number of 8-((3-hydroxypropyl)thio)-3-methyl-7-(2-methylallyl)-1H-purine-2,6(3H,7H)-dione is 442864-78-0.
What is the molecular formula of 8-((3-hydroxypropyl)thio)-3-methyl-7-(2-methylallyl)-1H-purine-2,6(3H,7H)-dione?
The molecular formula of 8-((3-hydroxypropyl)thio)-3-methyl-7-(2-methylallyl)-1H-purine-2,6(3H,7H)-dione is C13H18N4O3S.
What is the molecular weight of 8-((3-hydroxypropyl)thio)-3-methyl-7-(2-methylallyl)-1H-purine-2,6(3H,7H)-dione?
The molecular weight of 8-((3-hydroxypropyl)thio)-3-methyl-7-(2-methylallyl)-1H-purine-2,6(3H,7H)-dione is 310.11 g/mol.
Where can I buy 8-((3-hydroxypropyl)thio)-3-methyl-7-(2-methylallyl)-1H-purine-2,6(3H,7H)-dione?
You can request a quote for 8-((3-hydroxypropyl)thio)-3-methyl-7-(2-methylallyl)-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)-3-methyl-7-(2-methylallyl)-1H-purine-2,6(3H,7H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 8-((3-hydroxypropyl)thio)-3-methyl-7-(2-methylallyl)-1H-purine-2,6(3H,7H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.