Benzenemethanol, 4-nitro-alpha-((1H-purin-6-ylthio)methyl)-
TL;DR: Benzenemethanol, 4-nitro-alpha-((1H-purin-6-ylthio)methyl)- (CAS 106609-67-0) 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.
1-(4-nitrophenyl)-2-(7H-purin-6-ylsulfanyl)ethanol
Also Known As: 4-Nitro-alpha-((1H-purin-6-ylthio)methyl)benzenemethanol, Benzenemethanol, 4-nitro-alpha-((1H-purin-6-ylthio)methyl)-, 1-(4-nitrophenyl)-2-(7H-purin-6-ylsulfanyl)ethanol, 1-(4-Nitrophenyl)-2-[(9H-purin-6-yl)sulfanyl]ethan-1-ol, BRN 5630219
| Molecular Formula | C13H11N5O3S |
|---|---|
| Molecular Weight | 317.06 g/mol |
| LogP | 2.0868 |
| Topological Polar Surface Area | 117.83 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 317.05826 |
| Heavy Atoms | 22 |
| Complexity | 804.8006 |
Chemical Identifiers
| CAS Number | 106609-67-0 |
|---|---|
| SMILES | C1=CC(=CC=C1C(CSC2=NC=NC3=C2NC=N3)O)[N+](=O)[O-] |
Product Overview
Benzenemethanol, 4-nitro-alpha-((1H-purin-6-ylthio)methyl)- (CAS 106609-67-0), with molecular formula C13H11N5O3S and molecular weight 317.06 g/mol. IUPAC: 1-(4-nitrophenyl)-2-(7H-purin-6-ylsulfanyl)ethanol.
Chemical Property Profile of Benzenemethanol, 4-nitro-alpha-((1H-purin-6-ylthio)methyl)-
Property Insights of Benzenemethanol, 4-nitro-alpha-((1H-purin-6-ylthio)methyl)-
The XLogP value of 2.0868 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzenemethanol, 4-nitro-alpha-((1H-purin-6-ylthio)methyl)-. The TPSA of 117.83 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzenemethanol, 4-nitro-alpha-((1H-purin-6-ylthio)methyl)-. Following Lipinski's Rule of Five, Benzenemethanol, 4-nitro-alpha-((1H-purin-6-ylthio)methyl)- has 2 hydrogen bond donor(s) and 7 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 Benzenemethanol, 4-nitro-alpha-((1H-purin-6-ylthio)methyl)-?
The CAS number of Benzenemethanol, 4-nitro-alpha-((1H-purin-6-ylthio)methyl)- is 106609-67-0.
What is the molecular formula of Benzenemethanol, 4-nitro-alpha-((1H-purin-6-ylthio)methyl)-?
The molecular formula of Benzenemethanol, 4-nitro-alpha-((1H-purin-6-ylthio)methyl)- is C13H11N5O3S.
What is the molecular weight of Benzenemethanol, 4-nitro-alpha-((1H-purin-6-ylthio)methyl)-?
The molecular weight of Benzenemethanol, 4-nitro-alpha-((1H-purin-6-ylthio)methyl)- is 317.06 g/mol.
Where can I buy Benzenemethanol, 4-nitro-alpha-((1H-purin-6-ylthio)methyl)-?
You can request a quote for Benzenemethanol, 4-nitro-alpha-((1H-purin-6-ylthio)methyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenemethanol, 4-nitro-alpha-((1H-purin-6-ylthio)methyl)-?
Yes, KEHONG BIO provides custom synthesis services for Benzenemethanol, 4-nitro-alpha-((1H-purin-6-ylthio)methyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.