![6-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-9H-purin-2-ol structure](/static/products/6465/646510-84-1.webp)
6-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-9H-purin-2-ol
TL;DR: 6-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-9H-purin-2-ol (CAS 646510-84-1) is a chemical compound with molecular formula C13H11N5O4S and molecular weight 333.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[(2-methoxy-5-nitrophenyl)methylsulfanyl]-3,7-dihydropurin-2-one
Also Known As: 1.3 H2O, 6-(5-Nitro-2-methoxybenzylthio)2-hydroxypurine, 6-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-9H-purin-2-ol, 6-[(2-methoxy-5-nitrophenyl)methylsulfanyl]-3,7-dihydropurin-2-one, 6-[(2-methoxy-5-nitrobenzyl)sulfanyl]-3,7-dihydro-2h-purin-2-one
| Molecular Formula | C13H11N5O4S |
|---|---|
| Molecular Weight | 333.05 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 150.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 333.05316 |
| Heavy Atoms | 23 |
| Complexity | 511.0 |
Chemical Identifiers
| CAS Number | 646510-84-1 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)[N+](=O)[O-])CSC2=NC(=O)NC3=C2NC=N3 |
| InChIKey | FWBBCBGLXULYFN-UHFFFAOYSA-N |
Product Overview
6-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-9H-purin-2-ol (CAS 646510-84-1), with molecular formula C13H11N5O4S and molecular weight 333.05 g/mol. IUPAC: 6-[(2-methoxy-5-nitrophenyl)methylsulfanyl]-3,7-dihydropurin-2-one.
Chemical Property Profile of 6-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-9H-purin-2-ol
Property Insights of 6-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-9H-purin-2-ol
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-9H-purin-2-ol. The TPSA of 150.0 Ų indicates high polarity, suggesting 6-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-9H-purin-2-ol may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 6-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-9H-purin-2-ol has 2 hydrogen bond donor(s) and 6 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-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-9H-purin-2-ol?
The CAS number of 6-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-9H-purin-2-ol is 646510-84-1.
What is the molecular formula of 6-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-9H-purin-2-ol?
The molecular formula of 6-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-9H-purin-2-ol is C13H11N5O4S.
What is the molecular weight of 6-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-9H-purin-2-ol?
The molecular weight of 6-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-9H-purin-2-ol is 333.05 g/mol.
Where can I buy 6-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-9H-purin-2-ol?
You can request a quote for 6-[(2-methoxy-5-nitro-phenyl)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-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-9H-purin-2-ol?
Yes, KEHONG BIO provides custom synthesis services for 6-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-9H-purin-2-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.