2-(2-Nitro-5-pyrrolidin-1-ylphenyl)sulfanylethanol
TL;DR: 2-(2-Nitro-5-pyrrolidin-1-ylphenyl)sulfanylethanol (CAS 339187-18-7) is a chemical compound with molecular formula C12H16N2O3S and molecular weight 268.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-nitro-5-pyrrolidin-1-ylphenyl)sulfanylethanol
Also Known As: 2-(2-nitro-5-pyrrolidin-1-ylphenyl)sulfanylethanol, BAS 00434858, 2-(2-nitro-5-pyrrolidinylphenylthio)ethan-1-ol, 2-{[2-nitro-5-(1-pyrrolidinyl)phenyl]sulfanyl}ethanol, 2-(2-Nitro-5-pyrrolidin-1-yl-phenylsulfanyl)-ethanol
| Molecular Formula | C12H16N2O3S |
|---|---|
| Molecular Weight | 268.09 g/mol |
| LogP | 2.2794 |
| Topological Polar Surface Area | 66.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 268.08817 |
| Heavy Atoms | 18 |
| Complexity | 433.33075 |
Chemical Identifiers
| CAS Number | 339187-18-7 |
|---|---|
| SMILES | C1CCN(C1)C2=CC(=C(C=C2)[N+](=O)[O-])SCCO |
Product Overview
2-(2-Nitro-5-pyrrolidin-1-ylphenyl)sulfanylethanol (CAS 339187-18-7), with molecular formula C12H16N2O3S and molecular weight 268.09 g/mol. IUPAC: 2-(2-nitro-5-pyrrolidin-1-ylphenyl)sulfanylethanol.
Chemical Property Profile of 2-(2-Nitro-5-pyrrolidin-1-ylphenyl)sulfanylethanol
Property Insights of 2-(2-Nitro-5-pyrrolidin-1-ylphenyl)sulfanylethanol
The XLogP value of 2.2794 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(2-Nitro-5-pyrrolidin-1-ylphenyl)sulfanylethanol. The TPSA of 66.61 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(2-Nitro-5-pyrrolidin-1-ylphenyl)sulfanylethanol. Following Lipinski's Rule of Five, 2-(2-Nitro-5-pyrrolidin-1-ylphenyl)sulfanylethanol has 1 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 2-(2-Nitro-5-pyrrolidin-1-ylphenyl)sulfanylethanol?
The CAS number of 2-(2-Nitro-5-pyrrolidin-1-ylphenyl)sulfanylethanol is 339187-18-7.
What is the molecular formula of 2-(2-Nitro-5-pyrrolidin-1-ylphenyl)sulfanylethanol?
The molecular formula of 2-(2-Nitro-5-pyrrolidin-1-ylphenyl)sulfanylethanol is C12H16N2O3S.
What is the molecular weight of 2-(2-Nitro-5-pyrrolidin-1-ylphenyl)sulfanylethanol?
The molecular weight of 2-(2-Nitro-5-pyrrolidin-1-ylphenyl)sulfanylethanol is 268.09 g/mol.
Where can I buy 2-(2-Nitro-5-pyrrolidin-1-ylphenyl)sulfanylethanol?
You can request a quote for 2-(2-Nitro-5-pyrrolidin-1-ylphenyl)sulfanylethanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2-Nitro-5-pyrrolidin-1-ylphenyl)sulfanylethanol?
Yes, KEHONG BIO provides custom synthesis services for 2-(2-Nitro-5-pyrrolidin-1-ylphenyl)sulfanylethanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.