![Acetic acid, [(2-nitro-1-phenylethyl)thio]-, methyl ester structure](/static/products/766/76665-83-3.png)
Acetic acid, [(2-nitro-1-phenylethyl)thio]-, methyl ester
TL;DR: Acetic acid, [(2-nitro-1-phenylethyl)thio]-, methyl ester (CAS 76665-83-3) is a chemical compound with molecular formula C11H13NO4S and molecular weight 255.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(2-nitro-1-phenylethyl)sulfanylacetate
Also Known As: methyl 2-(2-nitro-1-phenylethyl)sulfanylacetate, Acetic acid, [(2-nitro-1-phenylethyl)thio]-, methyl ester, J3.200.647G, methyl {[alpha-(nitromethyl)benzyl]thio}acetate, Methyl [(2-nitro-1-phenylethyl)sulfanyl]acetate
| Molecular Formula | C11H13NO4S |
|---|---|
| Molecular Weight | 255.06 g/mol |
| LogP | 1.9106 |
| Topological Polar Surface Area | 69.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 255.05653 |
| Heavy Atoms | 17 |
| Complexity | 382.31763 |
Chemical Identifiers
| CAS Number | 76665-83-3 |
|---|---|
| SMILES | COC(=O)CSC(C[N+](=O)[O-])C1=CC=CC=C1 |
Product Overview
Acetic acid, [(2-nitro-1-phenylethyl)thio]-, methyl ester (CAS 76665-83-3), with molecular formula C11H13NO4S and molecular weight 255.06 g/mol. IUPAC: methyl 2-(2-nitro-1-phenylethyl)sulfanylacetate.
Chemical Property Profile of Acetic acid, [(2-nitro-1-phenylethyl)thio]-, methyl ester
Property Insights of Acetic acid, [(2-nitro-1-phenylethyl)thio]-, methyl ester
The XLogP value of 1.9106 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetic acid, [(2-nitro-1-phenylethyl)thio]-, methyl ester. The TPSA of 69.44 Ų falls within the moderate polarity range, balancing permeability and solubility for Acetic acid, [(2-nitro-1-phenylethyl)thio]-, methyl ester. Following Lipinski's Rule of Five, Acetic acid, [(2-nitro-1-phenylethyl)thio]-, methyl ester has 0 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 Acetic acid, [(2-nitro-1-phenylethyl)thio]-, methyl ester?
The CAS number of Acetic acid, [(2-nitro-1-phenylethyl)thio]-, methyl ester is 76665-83-3.
What is the molecular formula of Acetic acid, [(2-nitro-1-phenylethyl)thio]-, methyl ester?
The molecular formula of Acetic acid, [(2-nitro-1-phenylethyl)thio]-, methyl ester is C11H13NO4S.
What is the molecular weight of Acetic acid, [(2-nitro-1-phenylethyl)thio]-, methyl ester?
The molecular weight of Acetic acid, [(2-nitro-1-phenylethyl)thio]-, methyl ester is 255.06 g/mol.
Where can I buy Acetic acid, [(2-nitro-1-phenylethyl)thio]-, methyl ester?
You can request a quote for Acetic acid, [(2-nitro-1-phenylethyl)thio]-, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetic acid, [(2-nitro-1-phenylethyl)thio]-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Acetic acid, [(2-nitro-1-phenylethyl)thio]-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.