8-((3-HO-Propyl)thio)-1,3-DI-ME-7-(1-naphthyl-ME)3,7-dihydro-1H-purine-2,6-dione
TL;DR: 8-((3-HO-Propyl)thio)-1,3-DI-ME-7-(1-naphthyl-ME)3,7-dihydro-1H-purine-2,6-dione (CAS 476480-46-3) is a chemical compound with molecular formula C21H22N4O3S and molecular weight 410.14 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-(naphthalen-1-ylmethyl)purine-2,6-dione
Also Known As: BAS 05914560, AB01304177-01, 8-((3-Hydroxypropyl)thio)-1,3-dimethyl-7-(naphthalen-1-ylmethyl)-1H-purine-2,6(3H,7H)-dione, 8-[(3-hydroxypropyl)sulfanyl]-1,3-dimethyl-7-(naphthalen-1-ylmethyl)-3,7-dihydro-1H-purine-2,6-dione, 8-((3-HO-PROPYL)THIO)-1,3-DI-ME-7-(1-NAPHTHYL-ME)3,7-DIHYDRO-1H-PURINE-2,6-DIONE
| Molecular Formula | C21H22N4O3S |
|---|---|
| Molecular Weight | 410.14 g/mol |
| LogP | 2.1097 |
| Topological Polar Surface Area | 82.05 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 410.14127 |
| Heavy Atoms | 29 |
| Complexity | 1314.2385 |
Chemical Identifiers
| CAS Number | 476480-46-3 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)SCCCO)CC3=CC=CC4=CC=CC=C43 |
Product Overview
8-((3-HO-Propyl)thio)-1,3-DI-ME-7-(1-naphthyl-ME)3,7-dihydro-1H-purine-2,6-dione (CAS 476480-46-3), with molecular formula C21H22N4O3S and molecular weight 410.14 g/mol. IUPAC: 8-(3-hydroxypropylsulfanyl)-1,3-dimethyl-7-(naphthalen-1-ylmethyl)purine-2,6-dione.
Chemical Property Profile of 8-((3-HO-Propyl)thio)-1,3-DI-ME-7-(1-naphthyl-ME)3,7-dihydro-1H-purine-2,6-dione
Property Insights of 8-((3-HO-Propyl)thio)-1,3-DI-ME-7-(1-naphthyl-ME)3,7-dihydro-1H-purine-2,6-dione
The XLogP value of 2.1097 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-((3-HO-Propyl)thio)-1,3-DI-ME-7-(1-naphthyl-ME)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-(1-naphthyl-ME)3,7-dihydro-1H-purine-2,6-dione. Following Lipinski's Rule of Five, 8-((3-HO-Propyl)thio)-1,3-DI-ME-7-(1-naphthyl-ME)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-(1-naphthyl-ME)3,7-dihydro-1H-purine-2,6-dione?
The CAS number of 8-((3-HO-Propyl)thio)-1,3-DI-ME-7-(1-naphthyl-ME)3,7-dihydro-1H-purine-2,6-dione is 476480-46-3.
What is the molecular formula of 8-((3-HO-Propyl)thio)-1,3-DI-ME-7-(1-naphthyl-ME)3,7-dihydro-1H-purine-2,6-dione?
The molecular formula of 8-((3-HO-Propyl)thio)-1,3-DI-ME-7-(1-naphthyl-ME)3,7-dihydro-1H-purine-2,6-dione is C21H22N4O3S.
What is the molecular weight of 8-((3-HO-Propyl)thio)-1,3-DI-ME-7-(1-naphthyl-ME)3,7-dihydro-1H-purine-2,6-dione?
The molecular weight of 8-((3-HO-Propyl)thio)-1,3-DI-ME-7-(1-naphthyl-ME)3,7-dihydro-1H-purine-2,6-dione is 410.14 g/mol.
Where can I buy 8-((3-HO-Propyl)thio)-1,3-DI-ME-7-(1-naphthyl-ME)3,7-dihydro-1H-purine-2,6-dione?
You can request a quote for 8-((3-HO-Propyl)thio)-1,3-DI-ME-7-(1-naphthyl-ME)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-(1-naphthyl-ME)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-(1-naphthyl-ME)3,7-dihydro-1H-purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.