![6-[(2-methyl-3-nitro-phenyl)methylsulfanyl]-9H-purin-2-ol structure](/static/products/6465/646510-86-3.webp)
6-[(2-methyl-3-nitro-phenyl)methylsulfanyl]-9H-purin-2-ol
TL;DR: 6-[(2-methyl-3-nitro-phenyl)methylsulfanyl]-9H-purin-2-ol (CAS 646510-86-3) is a chemical compound with molecular formula C13H11N5O3S and molecular weight 317.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[(2-methyl-3-nitrophenyl)methylsulfanyl]-3,7-dihydropurin-2-one
Also Known As: 0.5 H2O, 1.3 H2O, 6-(3-Nitro-2-methylbenzylthio)2-hydroxypurine, 6-[(2-methyl-3-nitro-phenyl)methylsulfanyl]-9H-purin-2-ol, 6-[(2-methyl-3-nitrophenyl)methylsulfanyl]-3,7-dihydropurin-2-one
| Molecular Formula | C13H11N5O3S |
|---|---|
| Molecular Weight | 317.06 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 141.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 317.05826 |
| Heavy Atoms | 22 |
| Complexity | 495.0 |
Chemical Identifiers
| CAS Number | 646510-86-3 |
|---|---|
| SMILES | CC1=C(C=CC=C1[N+](=O)[O-])CSC2=NC(=O)NC3=C2NC=N3 |
| InChIKey | XLRVGVQITGCOBU-UHFFFAOYSA-N |
Product Overview
6-[(2-methyl-3-nitro-phenyl)methylsulfanyl]-9H-purin-2-ol (CAS 646510-86-3), with molecular formula C13H11N5O3S and molecular weight 317.06 g/mol. IUPAC: 6-[(2-methyl-3-nitrophenyl)methylsulfanyl]-3,7-dihydropurin-2-one.
Chemical Property Profile of 6-[(2-methyl-3-nitro-phenyl)methylsulfanyl]-9H-purin-2-ol
Property Insights of 6-[(2-methyl-3-nitro-phenyl)methylsulfanyl]-9H-purin-2-ol
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-[(2-methyl-3-nitro-phenyl)methylsulfanyl]-9H-purin-2-ol. The TPSA of 141.0 Ų indicates high polarity, suggesting 6-[(2-methyl-3-nitro-phenyl)methylsulfanyl]-9H-purin-2-ol may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 6-[(2-methyl-3-nitro-phenyl)methylsulfanyl]-9H-purin-2-ol has 2 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 6-[(2-methyl-3-nitro-phenyl)methylsulfanyl]-9H-purin-2-ol?
The CAS number of 6-[(2-methyl-3-nitro-phenyl)methylsulfanyl]-9H-purin-2-ol is 646510-86-3.
What is the molecular formula of 6-[(2-methyl-3-nitro-phenyl)methylsulfanyl]-9H-purin-2-ol?
The molecular formula of 6-[(2-methyl-3-nitro-phenyl)methylsulfanyl]-9H-purin-2-ol is C13H11N5O3S.
What is the molecular weight of 6-[(2-methyl-3-nitro-phenyl)methylsulfanyl]-9H-purin-2-ol?
The molecular weight of 6-[(2-methyl-3-nitro-phenyl)methylsulfanyl]-9H-purin-2-ol is 317.06 g/mol.
Where can I buy 6-[(2-methyl-3-nitro-phenyl)methylsulfanyl]-9H-purin-2-ol?
You can request a quote for 6-[(2-methyl-3-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-methyl-3-nitro-phenyl)methylsulfanyl]-9H-purin-2-ol?
Yes, KEHONG BIO provides custom synthesis services for 6-[(2-methyl-3-nitro-phenyl)methylsulfanyl]-9H-purin-2-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.