2-Cyanoethyl ({2-nitrophenyl}sulfanyl)acetate
TL;DR: 2-Cyanoethyl ({2-nitrophenyl}sulfanyl)acetate (CAS 536728-73-1) is a chemical compound with molecular formula C11H10N2O4S and molecular weight 266.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-cyanoethyl 2-(2-nitrophenyl)sulfanylacetate
Also Known As: 2-cyanoethyl ({2-nitrophenyl}sulfanyl)acetate, 2-cyanoethyl 2-(2-nitrophenyl)sulfanylacetate, 2-cyanoethyl 2-(2-nitrophenylthio)acetate, AS-871/41415308
| Molecular Formula | C11H10N2O4S |
|---|---|
| Molecular Weight | 266.04 g/mol |
| LogP | 2.14378 |
| Topological Polar Surface Area | 93.23 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 266.03613 |
| Heavy Atoms | 18 |
| Complexity | 484.1767 |
Chemical Identifiers
| CAS Number | 536728-73-1 |
|---|---|
| SMILES | C1=CC=C(C(=C1)[N+](=O)[O-])SCC(=O)OCCC#N |
Product Overview
2-Cyanoethyl ({2-nitrophenyl}sulfanyl)acetate (CAS 536728-73-1), with molecular formula C11H10N2O4S and molecular weight 266.04 g/mol. IUPAC: 2-cyanoethyl 2-(2-nitrophenyl)sulfanylacetate.
Chemical Property Profile of 2-Cyanoethyl ({2-nitrophenyl}sulfanyl)acetate
Property Insights of 2-Cyanoethyl ({2-nitrophenyl}sulfanyl)acetate
The XLogP value of 2.14378 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Cyanoethyl ({2-nitrophenyl}sulfanyl)acetate. The TPSA of 93.23 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Cyanoethyl ({2-nitrophenyl}sulfanyl)acetate. Following Lipinski's Rule of Five, 2-Cyanoethyl ({2-nitrophenyl}sulfanyl)acetate has 0 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 2-Cyanoethyl ({2-nitrophenyl}sulfanyl)acetate?
The CAS number of 2-Cyanoethyl ({2-nitrophenyl}sulfanyl)acetate is 536728-73-1.
What is the molecular formula of 2-Cyanoethyl ({2-nitrophenyl}sulfanyl)acetate?
The molecular formula of 2-Cyanoethyl ({2-nitrophenyl}sulfanyl)acetate is C11H10N2O4S.
What is the molecular weight of 2-Cyanoethyl ({2-nitrophenyl}sulfanyl)acetate?
The molecular weight of 2-Cyanoethyl ({2-nitrophenyl}sulfanyl)acetate is 266.04 g/mol.
Where can I buy 2-Cyanoethyl ({2-nitrophenyl}sulfanyl)acetate?
You can request a quote for 2-Cyanoethyl ({2-nitrophenyl}sulfanyl)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Cyanoethyl ({2-nitrophenyl}sulfanyl)acetate?
Yes, KEHONG BIO provides custom synthesis services for 2-Cyanoethyl ({2-nitrophenyl}sulfanyl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.