![Acetic acid, [[1-(4-methylphenyl)-2-nitroethyl]thio]-, ethyl ester structure](/static/products/110/110113-19-4.png)
Acetic acid, [[1-(4-methylphenyl)-2-nitroethyl]thio]-, ethyl ester
TL;DR: Acetic acid, [[1-(4-methylphenyl)-2-nitroethyl]thio]-, ethyl ester (CAS 110113-19-4) is a chemical compound with molecular formula C13H17NO4S and molecular weight 283.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[1-(4-methylphenyl)-2-nitroethyl]sulfanylacetate
Also Known As: Acetic acid, [[1-(4-methylphenyl)-2-nitroethyl]thio]-, ethyl ester, Ethyl {[1-(4-methylphenyl)-2-nitroethyl]sulfanyl}acetate, Ethyl 2-[1-(4-methylphenyl)-2-nitro-ethyl]sulfanylacetate, ethyl 2-[1-(4-methylphenyl)-2-nitroethyl]sulfanylacetate, Acetic acid,[[1-(4-methylphenyl)-2-nitroethyl]thio]-,ethyl ester
| Molecular Formula | C13H17NO4S |
|---|---|
| Molecular Weight | 283.09 g/mol |
| LogP | 2.60912 |
| Topological Polar Surface Area | 69.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 283.08783 |
| Heavy Atoms | 19 |
| Complexity | 432.7743 |
Chemical Identifiers
| CAS Number | 110113-19-4 |
|---|---|
| SMILES | CCOC(=O)CSC(C[N+](=O)[O-])C1=CC=C(C=C1)C |
Product Overview
Acetic acid, [[1-(4-methylphenyl)-2-nitroethyl]thio]-, ethyl ester (CAS 110113-19-4), with molecular formula C13H17NO4S and molecular weight 283.09 g/mol. IUPAC: ethyl 2-[1-(4-methylphenyl)-2-nitroethyl]sulfanylacetate.
Chemical Property Profile of Acetic acid, [[1-(4-methylphenyl)-2-nitroethyl]thio]-, ethyl ester
Property Insights of Acetic acid, [[1-(4-methylphenyl)-2-nitroethyl]thio]-, ethyl ester
The XLogP value of 2.60912 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetic acid, [[1-(4-methylphenyl)-2-nitroethyl]thio]-, ethyl ester. The TPSA of 69.44 Ų falls within the moderate polarity range, balancing permeability and solubility for Acetic acid, [[1-(4-methylphenyl)-2-nitroethyl]thio]-, ethyl ester. Following Lipinski's Rule of Five, Acetic acid, [[1-(4-methylphenyl)-2-nitroethyl]thio]-, ethyl 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, [[1-(4-methylphenyl)-2-nitroethyl]thio]-, ethyl ester?
The CAS number of Acetic acid, [[1-(4-methylphenyl)-2-nitroethyl]thio]-, ethyl ester is 110113-19-4.
What is the molecular formula of Acetic acid, [[1-(4-methylphenyl)-2-nitroethyl]thio]-, ethyl ester?
The molecular formula of Acetic acid, [[1-(4-methylphenyl)-2-nitroethyl]thio]-, ethyl ester is C13H17NO4S.
What is the molecular weight of Acetic acid, [[1-(4-methylphenyl)-2-nitroethyl]thio]-, ethyl ester?
The molecular weight of Acetic acid, [[1-(4-methylphenyl)-2-nitroethyl]thio]-, ethyl ester is 283.09 g/mol.
Where can I buy Acetic acid, [[1-(4-methylphenyl)-2-nitroethyl]thio]-, ethyl ester?
You can request a quote for Acetic acid, [[1-(4-methylphenyl)-2-nitroethyl]thio]-, ethyl 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, [[1-(4-methylphenyl)-2-nitroethyl]thio]-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Acetic acid, [[1-(4-methylphenyl)-2-nitroethyl]thio]-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.