![[2-(5-Chloro-2-methylanilino)-2-oxoethyl] 2-phenylsulfanylacetate structure](/static/products/848/848227-98-5.png)
[2-(5-Chloro-2-methylanilino)-2-oxoethyl] 2-phenylsulfanylacetate
TL;DR: [2-(5-Chloro-2-methylanilino)-2-oxoethyl] 2-phenylsulfanylacetate (CAS 848227-98-5) is a chemical compound with molecular formula C17H16ClNO3S and molecular weight 349.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(5-chloro-2-methylanilino)-2-oxoethyl] 2-phenylsulfanylacetate
Also Known As: [2-(5-chloro-2-methylanilino)-2-oxoethyl] 2-phenylsulfanylacetate|2-(5-Chloro-2-methylanilino)-2-oxoethyl (phenylsulfanyl)acetate|MLS002251761|SMR001314141
| Molecular Formula | C17H16ClNO3S |
|---|---|
| Molecular Weight | 349.05 g/mol |
| LogP | 3.92242 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 349.05396 |
| Heavy Atoms | 23 |
| Complexity | 691.49274 |
Chemical Identifiers
| CAS Number | 848227-98-5 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)Cl)NC(=O)COC(=O)CSC2=CC=CC=C2 |
Product Overview
[2-(5-Chloro-2-methylanilino)-2-oxoethyl] 2-phenylsulfanylacetate (CAS 848227-98-5), with molecular formula C17H16ClNO3S and molecular weight 349.05 g/mol. IUPAC: [2-(5-chloro-2-methylanilino)-2-oxoethyl] 2-phenylsulfanylacetate.
Chemical Property Profile of [2-(5-Chloro-2-methylanilino)-2-oxoethyl] 2-phenylsulfanylacetate
Property Insights of [2-(5-Chloro-2-methylanilino)-2-oxoethyl] 2-phenylsulfanylacetate
The XLogP value of 3.92242 indicates that [2-(5-Chloro-2-methylanilino)-2-oxoethyl] 2-phenylsulfanylacetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.4 Ų, [2-(5-Chloro-2-methylanilino)-2-oxoethyl] 2-phenylsulfanylacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, [2-(5-Chloro-2-methylanilino)-2-oxoethyl] 2-phenylsulfanylacetate has 1 hydrogen bond donor(s) and 4 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-(5-Chloro-2-methylanilino)-2-oxoethyl] 2-phenylsulfanylacetate?
The CAS number of [2-(5-Chloro-2-methylanilino)-2-oxoethyl] 2-phenylsulfanylacetate is 848227-98-5.
What is the molecular formula of [2-(5-Chloro-2-methylanilino)-2-oxoethyl] 2-phenylsulfanylacetate?
The molecular formula of [2-(5-Chloro-2-methylanilino)-2-oxoethyl] 2-phenylsulfanylacetate is C17H16ClNO3S.
What is the molecular weight of [2-(5-Chloro-2-methylanilino)-2-oxoethyl] 2-phenylsulfanylacetate?
The molecular weight of [2-(5-Chloro-2-methylanilino)-2-oxoethyl] 2-phenylsulfanylacetate is 349.05 g/mol.
Where can I buy [2-(5-Chloro-2-methylanilino)-2-oxoethyl] 2-phenylsulfanylacetate?
You can request a quote for [2-(5-Chloro-2-methylanilino)-2-oxoethyl] 2-phenylsulfanylacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [2-(5-Chloro-2-methylanilino)-2-oxoethyl] 2-phenylsulfanylacetate?
Yes, KEHONG BIO provides custom synthesis services for [2-(5-Chloro-2-methylanilino)-2-oxoethyl] 2-phenylsulfanylacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.