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8-[(1-ethyl-3-piperidinyl)thio]-1,3-dimethyl-6-sulfanylidene-7H-purin-2-one
TL;DR: 8-[(1-ethyl-3-piperidinyl)thio]-1,3-dimethyl-6-sulfanylidene-7H-purin-2-one (CAS 6559-89-3) is a chemical compound with molecular formula C14H21N5OS2 and molecular weight 339.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-(1-ethylpiperidin-3-yl)sulfanyl-1,3-dimethyl-6-sulfanylidene-7H-purin-2-one
Also Known As: 8-[(1-ethyl-3-piperidinyl)thio]-1,3-dimethyl-6-sulfanylidene-7H-purin-2-one, 8-(1-ethylpiperidin-3-yl)sulfanyl-1,3-dimethyl-6-sulfanylidene-7H-purin-2-one, 8-(1-ethylpiperidin-3-yl)sulfanyl-1,3-dimethyl-6-sulfanylide, 8-[(1-Ethylpiperidin-3-yl)sulfanyl]-1,3,6,7-tetrahydro-2H-purin-2-one, 8-[(1-Ethylpiperidin-3-yl)sulfanyl]-1,3-dimethyl-6-sulfanylidene-1,3,6,7-tetrahydro-2H-purin-2-one
| Molecular Formula | C14H21N5OS2 |
|---|---|
| Molecular Weight | 339.12 g/mol |
| LogP | 1.90599 |
| Topological Polar Surface Area | 58.85 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 339.11874 |
| Heavy Atoms | 22 |
| Complexity | 805.8917 |
Chemical Identifiers
| CAS Number | 6559-89-3 |
|---|---|
| SMILES | CCN1CCCC(C1)SC2=NC3=C(N2)C(=S)N(C(=O)N3C)C |
Product Overview
8-[(1-ethyl-3-piperidinyl)thio]-1,3-dimethyl-6-sulfanylidene-7H-purin-2-one (CAS 6559-89-3), with molecular formula C14H21N5OS2 and molecular weight 339.12 g/mol. IUPAC: 8-(1-ethylpiperidin-3-yl)sulfanyl-1,3-dimethyl-6-sulfanylidene-7H-purin-2-one.
Chemical Property Profile of 8-[(1-ethyl-3-piperidinyl)thio]-1,3-dimethyl-6-sulfanylidene-7H-purin-2-one
Property Insights of 8-[(1-ethyl-3-piperidinyl)thio]-1,3-dimethyl-6-sulfanylidene-7H-purin-2-one
The XLogP value of 1.90599 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-[(1-ethyl-3-piperidinyl)thio]-1,3-dimethyl-6-sulfanylidene-7H-purin-2-one. With a topological polar surface area (TPSA) of 58.85 Ų, 8-[(1-ethyl-3-piperidinyl)thio]-1,3-dimethyl-6-sulfanylidene-7H-purin-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 8-[(1-ethyl-3-piperidinyl)thio]-1,3-dimethyl-6-sulfanylidene-7H-purin-2-one 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-[(1-ethyl-3-piperidinyl)thio]-1,3-dimethyl-6-sulfanylidene-7H-purin-2-one?
The CAS number of 8-[(1-ethyl-3-piperidinyl)thio]-1,3-dimethyl-6-sulfanylidene-7H-purin-2-one is 6559-89-3.
What is the molecular formula of 8-[(1-ethyl-3-piperidinyl)thio]-1,3-dimethyl-6-sulfanylidene-7H-purin-2-one?
The molecular formula of 8-[(1-ethyl-3-piperidinyl)thio]-1,3-dimethyl-6-sulfanylidene-7H-purin-2-one is C14H21N5OS2.
What is the molecular weight of 8-[(1-ethyl-3-piperidinyl)thio]-1,3-dimethyl-6-sulfanylidene-7H-purin-2-one?
The molecular weight of 8-[(1-ethyl-3-piperidinyl)thio]-1,3-dimethyl-6-sulfanylidene-7H-purin-2-one is 339.12 g/mol.
Where can I buy 8-[(1-ethyl-3-piperidinyl)thio]-1,3-dimethyl-6-sulfanylidene-7H-purin-2-one?
You can request a quote for 8-[(1-ethyl-3-piperidinyl)thio]-1,3-dimethyl-6-sulfanylidene-7H-purin-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-[(1-ethyl-3-piperidinyl)thio]-1,3-dimethyl-6-sulfanylidene-7H-purin-2-one?
Yes, KEHONG BIO provides custom synthesis services for 8-[(1-ethyl-3-piperidinyl)thio]-1,3-dimethyl-6-sulfanylidene-7H-purin-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.