![O-ethyl 3-[4-(dimethylamino)phenyl]prop-2-enethioate structure](/static/products/1176/117666-89-4.webp)
O-ethyl 3-[4-(dimethylamino)phenyl]prop-2-enethioate
TL;DR: O-ethyl 3-[4-(dimethylamino)phenyl]prop-2-enethioate (CAS 117666-89-4) is a chemical compound with molecular formula C13H17NOS and molecular weight 235.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
O-ethyl 3-[4-(dimethylamino)phenyl]prop-2-enethioate
Also Known As: 3-(4-(Dimethylamino)phenyl)-2-propenethioic acid O-ethyl ester
| Molecular Formula | C13H17NOS |
|---|---|
| Molecular Weight | 235.10 g/mol |
| LogP | 3.1297 |
| Topological Polar Surface Area | 12.47 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 235.10309 |
| Heavy Atoms | 16 |
| Complexity | 368.02393 |
Chemical Identifiers
| CAS Number | 117666-89-4 |
|---|---|
| SMILES | CCOC(=S)C=CC1=CC=C(C=C1)N(C)C |
Product Overview
O-ethyl 3-[4-(dimethylamino)phenyl]prop-2-enethioate (CAS 117666-89-4), with molecular formula C13H17NOS and molecular weight 235.10 g/mol. IUPAC: O-ethyl 3-[4-(dimethylamino)phenyl]prop-2-enethioate.
Chemical Property Profile of O-ethyl 3-[4-(dimethylamino)phenyl]prop-2-enethioate
Property Insights of O-ethyl 3-[4-(dimethylamino)phenyl]prop-2-enethioate
The XLogP value of 3.1297 indicates that O-ethyl 3-[4-(dimethylamino)phenyl]prop-2-enethioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.47 Ų, O-ethyl 3-[4-(dimethylamino)phenyl]prop-2-enethioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, O-ethyl 3-[4-(dimethylamino)phenyl]prop-2-enethioate has 0 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 O-ethyl 3-[4-(dimethylamino)phenyl]prop-2-enethioate?
The CAS number of O-ethyl 3-[4-(dimethylamino)phenyl]prop-2-enethioate is 117666-89-4.
What is the molecular formula of O-ethyl 3-[4-(dimethylamino)phenyl]prop-2-enethioate?
The molecular formula of O-ethyl 3-[4-(dimethylamino)phenyl]prop-2-enethioate is C13H17NOS.
What is the molecular weight of O-ethyl 3-[4-(dimethylamino)phenyl]prop-2-enethioate?
The molecular weight of O-ethyl 3-[4-(dimethylamino)phenyl]prop-2-enethioate is 235.10 g/mol.
Where can I buy O-ethyl 3-[4-(dimethylamino)phenyl]prop-2-enethioate?
You can request a quote for O-ethyl 3-[4-(dimethylamino)phenyl]prop-2-enethioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for O-ethyl 3-[4-(dimethylamino)phenyl]prop-2-enethioate?
Yes, KEHONG BIO provides custom synthesis services for O-ethyl 3-[4-(dimethylamino)phenyl]prop-2-enethioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.