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1-[2-(4-methylphenyl)sulfanylethyl]-7H-purin-6-one
TL;DR: 1-[2-(4-methylphenyl)sulfanylethyl]-7H-purin-6-one (CAS 7702-67-2) is a chemical compound with molecular formula C14H14N4OS and molecular weight 286.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[2-(4-methylphenyl)sulfanylethyl]-7H-purin-6-one
Also Known As: 1-[2-(4-methylphenyl)sulfanylethyl]-7H-purin-6-one, Purine-6(1h)-one, 1-[2-(p-tolythio)ethyl]-, 1-{2-[(4-Methylphenyl)sulfanyl]ethyl}-1,7-dihydro-6H-purin-6-one
| Molecular Formula | C14H14N4OS |
|---|---|
| Molecular Weight | 286.09 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 86.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 286.08884 |
| Heavy Atoms | 20 |
| Complexity | 381.0 |
Chemical Identifiers
| CAS Number | 7702-67-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)SCCN2C=NC3=C(C2=O)NC=N3 |
| InChIKey | VAYFKKRRGNTGQQ-UHFFFAOYSA-N |
Product Overview
1-[2-(4-methylphenyl)sulfanylethyl]-7H-purin-6-one (CAS 7702-67-2), with molecular formula C14H14N4OS and molecular weight 286.09 g/mol. IUPAC: 1-[2-(4-methylphenyl)sulfanylethyl]-7H-purin-6-one.
Chemical Property Profile of 1-[2-(4-methylphenyl)sulfanylethyl]-7H-purin-6-one
Property Insights of 1-[2-(4-methylphenyl)sulfanylethyl]-7H-purin-6-one
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[2-(4-methylphenyl)sulfanylethyl]-7H-purin-6-one. The TPSA of 86.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[2-(4-methylphenyl)sulfanylethyl]-7H-purin-6-one. Following Lipinski's Rule of Five, 1-[2-(4-methylphenyl)sulfanylethyl]-7H-purin-6-one has 1 hydrogen bond donor(s) and 4 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 1-[2-(4-methylphenyl)sulfanylethyl]-7H-purin-6-one?
The CAS number of 1-[2-(4-methylphenyl)sulfanylethyl]-7H-purin-6-one is 7702-67-2.
What is the molecular formula of 1-[2-(4-methylphenyl)sulfanylethyl]-7H-purin-6-one?
The molecular formula of 1-[2-(4-methylphenyl)sulfanylethyl]-7H-purin-6-one is C14H14N4OS.
What is the molecular weight of 1-[2-(4-methylphenyl)sulfanylethyl]-7H-purin-6-one?
The molecular weight of 1-[2-(4-methylphenyl)sulfanylethyl]-7H-purin-6-one is 286.09 g/mol.
Where can I buy 1-[2-(4-methylphenyl)sulfanylethyl]-7H-purin-6-one?
You can request a quote for 1-[2-(4-methylphenyl)sulfanylethyl]-7H-purin-6-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[2-(4-methylphenyl)sulfanylethyl]-7H-purin-6-one?
Yes, KEHONG BIO provides custom synthesis services for 1-[2-(4-methylphenyl)sulfanylethyl]-7H-purin-6-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.