S-(2-((4-Isopropylphenyl)amino)-2-oxoethyl) benzothioate
TL;DR: S-(2-((4-Isopropylphenyl)amino)-2-oxoethyl) benzothioate (CAS 379706-49-7) is a chemical compound with molecular formula C18H19NO2S and molecular weight 313.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-[2-oxo-2-(4-propan-2-ylanilino)ethyl] benzenecarbothioate
Also Known As: S-(2-((4-Isopropylphenyl)amino)-2-oxoethyl) benzothioate, S-[2-oxo-2-(4-propan-2-ylanilino)ethyl] benzenecarbothioate
| Molecular Formula | C18H19NO2S |
|---|---|
| Molecular Weight | 313.11 g/mol |
| LogP | 4.3221 |
| Topological Polar Surface Area | 46.17 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 313.11365 |
| Heavy Atoms | 22 |
| Complexity | 635.89655 |
Chemical Identifiers
| CAS Number | 379706-49-7 |
|---|---|
| SMILES | CC(C)C1=CC=C(C=C1)NC(=O)CSC(=O)C2=CC=CC=C2 |
Product Overview
S-(2-((4-Isopropylphenyl)amino)-2-oxoethyl) benzothioate (CAS 379706-49-7), with molecular formula C18H19NO2S and molecular weight 313.11 g/mol. IUPAC: S-[2-oxo-2-(4-propan-2-ylanilino)ethyl] benzenecarbothioate.
Chemical Property Profile of S-(2-((4-Isopropylphenyl)amino)-2-oxoethyl) benzothioate
Property Insights of S-(2-((4-Isopropylphenyl)amino)-2-oxoethyl) benzothioate
The XLogP value of 4.3221 indicates that S-(2-((4-Isopropylphenyl)amino)-2-oxoethyl) benzothioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.17 Ų, S-(2-((4-Isopropylphenyl)amino)-2-oxoethyl) benzothioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, S-(2-((4-Isopropylphenyl)amino)-2-oxoethyl) benzothioate has 1 hydrogen bond donor(s) and 3 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 S-(2-((4-Isopropylphenyl)amino)-2-oxoethyl) benzothioate?
The CAS number of S-(2-((4-Isopropylphenyl)amino)-2-oxoethyl) benzothioate is 379706-49-7.
What is the molecular formula of S-(2-((4-Isopropylphenyl)amino)-2-oxoethyl) benzothioate?
The molecular formula of S-(2-((4-Isopropylphenyl)amino)-2-oxoethyl) benzothioate is C18H19NO2S.
What is the molecular weight of S-(2-((4-Isopropylphenyl)amino)-2-oxoethyl) benzothioate?
The molecular weight of S-(2-((4-Isopropylphenyl)amino)-2-oxoethyl) benzothioate is 313.11 g/mol.
Where can I buy S-(2-((4-Isopropylphenyl)amino)-2-oxoethyl) benzothioate?
You can request a quote for S-(2-((4-Isopropylphenyl)amino)-2-oxoethyl) benzothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-(2-((4-Isopropylphenyl)amino)-2-oxoethyl) benzothioate?
Yes, KEHONG BIO provides custom synthesis services for S-(2-((4-Isopropylphenyl)amino)-2-oxoethyl) benzothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.