8-((3-HO-Propyl)thio)-1,3-DI-ME-7-(4-ME-benzyl)-3,7-dihydro-1H-purine-2,6-dione
TL;DR: 8-((3-HO-Propyl)thio)-1,3-DI-ME-7-(4-ME-benzyl)-3,7-dihydro-1H-purine-2,6-dione (CAS 476480-01-0) is a chemical compound with molecular formula C18H22N4O3S and molecular weight 374.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-(3-hydroxypropylsulfanyl)-1,3-dimethyl-7-[(4-methylphenyl)methyl]purine-2,6-dione
Also Known As: BAS 05914489, 8-[(3-hydroxypropyl)sulfanyl]-1,3-dimethyl-7-(4-methylbenzyl)-3,7-dihydro-1H-purine-2,6-dione, 8-((3-HO-PROPYL)THIO)-1,3-DI-ME-7-(4-ME-BENZYL)-3,7-DIHYDRO-1H-PURINE-2,6-DIONE, 8-(3-hydroxypropylsulfanyl)-1,3-dimethyl-7-[(4-methylphenyl)methyl]purine-2,6-dione, 8-((3-Hydroxypropyl)thio)-1,3-dimethyl-7-(4-methylbenzyl)-1H-purine-2,6(3H,7H)-dione
| Molecular Formula | C18H22N4O3S |
|---|---|
| Molecular Weight | 374.14 g/mol |
| LogP | 1.26492 |
| Topological Polar Surface Area | 82.05 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 374.14127 |
| Heavy Atoms | 26 |
| Complexity | 1047.4591 |
Chemical Identifiers
| CAS Number | 476480-01-0 |
|---|---|
| SMILES | CC1=CC=C(C=C1)CN2C3=C(N=C2SCCCO)N(C(=O)N(C3=O)C)C |
Product Overview
8-((3-HO-Propyl)thio)-1,3-DI-ME-7-(4-ME-benzyl)-3,7-dihydro-1H-purine-2,6-dione (CAS 476480-01-0), with molecular formula C18H22N4O3S and molecular weight 374.14 g/mol. IUPAC: 8-(3-hydroxypropylsulfanyl)-1,3-dimethyl-7-[(4-methylphenyl)methyl]purine-2,6-dione.
Chemical Property Profile of 8-((3-HO-Propyl)thio)-1,3-DI-ME-7-(4-ME-benzyl)-3,7-dihydro-1H-purine-2,6-dione
Property Insights of 8-((3-HO-Propyl)thio)-1,3-DI-ME-7-(4-ME-benzyl)-3,7-dihydro-1H-purine-2,6-dione
The XLogP value of 1.26492 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-((3-HO-Propyl)thio)-1,3-DI-ME-7-(4-ME-benzyl)-3,7-dihydro-1H-purine-2,6-dione. The TPSA of 82.05 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-((3-HO-Propyl)thio)-1,3-DI-ME-7-(4-ME-benzyl)-3,7-dihydro-1H-purine-2,6-dione. Following Lipinski's Rule of Five, 8-((3-HO-Propyl)thio)-1,3-DI-ME-7-(4-ME-benzyl)-3,7-dihydro-1H-purine-2,6-dione has 1 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-HO-Propyl)thio)-1,3-DI-ME-7-(4-ME-benzyl)-3,7-dihydro-1H-purine-2,6-dione?
The CAS number of 8-((3-HO-Propyl)thio)-1,3-DI-ME-7-(4-ME-benzyl)-3,7-dihydro-1H-purine-2,6-dione is 476480-01-0.
What is the molecular formula of 8-((3-HO-Propyl)thio)-1,3-DI-ME-7-(4-ME-benzyl)-3,7-dihydro-1H-purine-2,6-dione?
The molecular formula of 8-((3-HO-Propyl)thio)-1,3-DI-ME-7-(4-ME-benzyl)-3,7-dihydro-1H-purine-2,6-dione is C18H22N4O3S.
What is the molecular weight of 8-((3-HO-Propyl)thio)-1,3-DI-ME-7-(4-ME-benzyl)-3,7-dihydro-1H-purine-2,6-dione?
The molecular weight of 8-((3-HO-Propyl)thio)-1,3-DI-ME-7-(4-ME-benzyl)-3,7-dihydro-1H-purine-2,6-dione is 374.14 g/mol.
Where can I buy 8-((3-HO-Propyl)thio)-1,3-DI-ME-7-(4-ME-benzyl)-3,7-dihydro-1H-purine-2,6-dione?
You can request a quote for 8-((3-HO-Propyl)thio)-1,3-DI-ME-7-(4-ME-benzyl)-3,7-dihydro-1H-purine-2,6-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-HO-Propyl)thio)-1,3-DI-ME-7-(4-ME-benzyl)-3,7-dihydro-1H-purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 8-((3-HO-Propyl)thio)-1,3-DI-ME-7-(4-ME-benzyl)-3,7-dihydro-1H-purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.