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6-[(3-methoxyphenyl)methylsulfanyl]-9H-purin-2-ol
TL;DR: 6-[(3-methoxyphenyl)methylsulfanyl]-9H-purin-2-ol (CAS 646509-54-8) is a chemical compound with molecular formula C13H12N4O2S and molecular weight 288.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[(3-methoxyphenyl)methylsulfanyl]-3,7-dihydropurin-2-one
Also Known As: 6-[(3-methoxyphenyl)methylsulfanyl]-9H-purin-2-ol, 6-[(3-methoxyphenyl)methylsulfanyl]-3,7-dihydropurin-2-one, 9H-Purin-2-ol, 6-[[(3-methoxyphenyl)methyl]thio]-, 2H-Purin-2-one, 1,3-dihydro-6-[[(3-methoxyphenyl)methyl]thio]-, 6-{[(3-Methoxyphenyl)methyl]sulfanyl}-3,7-dihydro-2H-purin-2-one
| Molecular Formula | C13H12N4O2S |
|---|---|
| Molecular Weight | 288.07 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 105.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 288.06808 |
| Heavy Atoms | 20 |
| Complexity | 404.0 |
Chemical Identifiers
| CAS Number | 646509-54-8 |
|---|---|
| SMILES | COC1=CC=CC(=C1)CSC2=NC(=O)NC3=C2NC=N3 |
| InChIKey | BYBCYLZKFOFBJE-UHFFFAOYSA-N |
Product Overview
6-[(3-methoxyphenyl)methylsulfanyl]-9H-purin-2-ol (CAS 646509-54-8), with molecular formula C13H12N4O2S and molecular weight 288.07 g/mol. IUPAC: 6-[(3-methoxyphenyl)methylsulfanyl]-3,7-dihydropurin-2-one.
Chemical Property Profile of 6-[(3-methoxyphenyl)methylsulfanyl]-9H-purin-2-ol
Property Insights of 6-[(3-methoxyphenyl)methylsulfanyl]-9H-purin-2-ol
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-[(3-methoxyphenyl)methylsulfanyl]-9H-purin-2-ol. The TPSA of 105.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-[(3-methoxyphenyl)methylsulfanyl]-9H-purin-2-ol. Following Lipinski's Rule of Five, 6-[(3-methoxyphenyl)methylsulfanyl]-9H-purin-2-ol has 2 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 6-[(3-methoxyphenyl)methylsulfanyl]-9H-purin-2-ol?
The CAS number of 6-[(3-methoxyphenyl)methylsulfanyl]-9H-purin-2-ol is 646509-54-8.
What is the molecular formula of 6-[(3-methoxyphenyl)methylsulfanyl]-9H-purin-2-ol?
The molecular formula of 6-[(3-methoxyphenyl)methylsulfanyl]-9H-purin-2-ol is C13H12N4O2S.
What is the molecular weight of 6-[(3-methoxyphenyl)methylsulfanyl]-9H-purin-2-ol?
The molecular weight of 6-[(3-methoxyphenyl)methylsulfanyl]-9H-purin-2-ol is 288.07 g/mol.
Where can I buy 6-[(3-methoxyphenyl)methylsulfanyl]-9H-purin-2-ol?
You can request a quote for 6-[(3-methoxyphenyl)methylsulfanyl]-9H-purin-2-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-[(3-methoxyphenyl)methylsulfanyl]-9H-purin-2-ol?
Yes, KEHONG BIO provides custom synthesis services for 6-[(3-methoxyphenyl)methylsulfanyl]-9H-purin-2-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.