Ethanethioic acid, S-(3-(5-(acetylamino)-2-ethoxyphenyl)propyl) ester
TL;DR: Ethanethioic acid, S-(3-(5-(acetylamino)-2-ethoxyphenyl)propyl) ester (CAS 90060-70-1) is a chemical compound with molecular formula C15H21NO3S and molecular weight 295.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-[3-(5-acetamido-2-ethoxyphenyl)propyl] ethanethioate
Also Known As: Extract of laborador tea, n-[3-4-ethoxyphenyl]acetamide, FX 205-754, N-[3- -4-ethoxyphenyl]acetamide, S-[3-(5-acetamido-2-ethoxyphenyl)propyl] ethanethioate
| Molecular Formula | C15H21NO3S |
|---|---|
| Molecular Weight | 295.12 g/mol |
| LogP | 3.256 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 295.1242 |
| Heavy Atoms | 20 |
| Complexity | 474.18646 |
Chemical Identifiers
| CAS Number | 90060-70-1 |
|---|---|
| SMILES | CCOC1=C(C=C(C=C1)NC(=O)C)CCCSC(=O)C |
Product Overview
Ethanethioic acid, S-(3-(5-(acetylamino)-2-ethoxyphenyl)propyl) ester (CAS 90060-70-1), with molecular formula C15H21NO3S and molecular weight 295.12 g/mol. IUPAC: S-[3-(5-acetamido-2-ethoxyphenyl)propyl] ethanethioate.
Chemical Property Profile of Ethanethioic acid, S-(3-(5-(acetylamino)-2-ethoxyphenyl)propyl) ester
Property Insights of Ethanethioic acid, S-(3-(5-(acetylamino)-2-ethoxyphenyl)propyl) ester
The XLogP value of 3.256 indicates that Ethanethioic acid, S-(3-(5-(acetylamino)-2-ethoxyphenyl)propyl) ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.4 Ų, Ethanethioic acid, S-(3-(5-(acetylamino)-2-ethoxyphenyl)propyl) ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethanethioic acid, S-(3-(5-(acetylamino)-2-ethoxyphenyl)propyl) ester 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 Ethanethioic acid, S-(3-(5-(acetylamino)-2-ethoxyphenyl)propyl) ester?
The CAS number of Ethanethioic acid, S-(3-(5-(acetylamino)-2-ethoxyphenyl)propyl) ester is 90060-70-1.
What is the molecular formula of Ethanethioic acid, S-(3-(5-(acetylamino)-2-ethoxyphenyl)propyl) ester?
The molecular formula of Ethanethioic acid, S-(3-(5-(acetylamino)-2-ethoxyphenyl)propyl) ester is C15H21NO3S.
What is the molecular weight of Ethanethioic acid, S-(3-(5-(acetylamino)-2-ethoxyphenyl)propyl) ester?
The molecular weight of Ethanethioic acid, S-(3-(5-(acetylamino)-2-ethoxyphenyl)propyl) ester is 295.12 g/mol.
Where can I buy Ethanethioic acid, S-(3-(5-(acetylamino)-2-ethoxyphenyl)propyl) ester?
You can request a quote for Ethanethioic acid, S-(3-(5-(acetylamino)-2-ethoxyphenyl)propyl) ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethanethioic acid, S-(3-(5-(acetylamino)-2-ethoxyphenyl)propyl) ester?
Yes, KEHONG BIO provides custom synthesis services for Ethanethioic acid, S-(3-(5-(acetylamino)-2-ethoxyphenyl)propyl) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.