RefChem:374692
TL;DR: RefChem:374692 (CAS 42019-37-4) is a chemical compound with molecular formula C16H22O4S and molecular weight 310.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 2-(4-acetyl-3-methylsulfanylphenoxy)-2-methylpropanoate
Also Known As: Propanoic acid, 2-(4-acetyl-3-(methylthio)phenoxy)-2-methyl-, 1-methylethyl ester, 1-Methylethyl 2-(4-acetyl-3-(methylthio)phenoxy)-2-methylpropanoate, 2-(4-Acetyl-3-(methylthio)phenoxy)-2-methylpropanoic acid 1-methylethyl ester, propan-2-yl 2-(4-acetyl-3-methylsulfanylphenoxy)-2-methylpropanoate, Propan-2-yl 2-[4-acetyl-3-(methylsulfanyl)phenoxy]-2-methylpropanoate
| Molecular Formula | C16H22O4S |
|---|---|
| Molecular Weight | 310.12 g/mol |
| LogP | 3.7201 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 310.12387 |
| Heavy Atoms | 21 |
| Complexity | 535.07855 |
Chemical Identifiers
| CAS Number | 42019-37-4 |
|---|---|
| SMILES | CC(C)OC(=O)C(C)(C)OC1=CC(=C(C=C1)C(=O)C)SC |
Product Overview
RefChem:374692 (CAS 42019-37-4), with molecular formula C16H22O4S and molecular weight 310.12 g/mol. IUPAC: propan-2-yl 2-(4-acetyl-3-methylsulfanylphenoxy)-2-methylpropanoate.
Chemical Property Profile of RefChem:374692
Property Insights of RefChem:374692
The XLogP value of 3.7201 indicates that RefChem:374692 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, RefChem:374692 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:374692 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 RefChem:374692?
The CAS number of RefChem:374692 is 42019-37-4.
What is the molecular formula of RefChem:374692?
The molecular formula of RefChem:374692 is C16H22O4S.
What is the molecular weight of RefChem:374692?
The molecular weight of RefChem:374692 is 310.12 g/mol.
Where can I buy RefChem:374692?
You can request a quote for RefChem:374692 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:374692?
Yes, KEHONG BIO provides custom synthesis services for RefChem:374692 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.