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Ethyl 2-[(indolinylthioxomethyl)amino]-5-phenylthiophene-3-carboxylate
TL;DR: Ethyl 2-[(indolinylthioxomethyl)amino]-5-phenylthiophene-3-carboxylate (CAS 590351-77-2) is a chemical compound with molecular formula C22H20N2O2S2 and molecular weight 408.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(2,3-dihydroindole-1-carbothioylamino)-5-phenylthiophene-3-carboxylate
Also Known As: ethyl 2-(indoline-1-carbothioamido)-5-phenylthiophene-3-carboxylate, ethyl 2-[(indolinylthioxomethyl)amino]-5-phenylthiophene-3-carboxylate, Ethyl 2-(2,3-dihydroindole-1-carbothioylamino)-5-phenyl-thiophene-3-carboxylate, ethyl 2-(2,3-dihydroindole-1-carbothioylamino)-5-phenylthiophene-3-carboxylate, ethyl 2-[(2,3-dihydro-1H-indol-1-ylcarbonothioyl)amino]-5-phenylthiophene-3-carboxylate
| Molecular Formula | C22H20N2O2S2 |
|---|---|
| Molecular Weight | 408.10 g/mol |
| LogP | 5.3513 |
| Topological Polar Surface Area | 41.57 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 408.09662 |
| Heavy Atoms | 28 |
| Complexity | 1014.38605 |
Chemical Identifiers
| CAS Number | 590351-77-2 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=S)N3CCC4=CC=CC=C43 |
Product Overview
Ethyl 2-[(indolinylthioxomethyl)amino]-5-phenylthiophene-3-carboxylate (CAS 590351-77-2), with molecular formula C22H20N2O2S2 and molecular weight 408.10 g/mol. IUPAC: ethyl 2-(2,3-dihydroindole-1-carbothioylamino)-5-phenylthiophene-3-carboxylate.
Chemical Property Profile of Ethyl 2-[(indolinylthioxomethyl)amino]-5-phenylthiophene-3-carboxylate
Property Insights of Ethyl 2-[(indolinylthioxomethyl)amino]-5-phenylthiophene-3-carboxylate
The XLogP value of 5.3513 indicates that Ethyl 2-[(indolinylthioxomethyl)amino]-5-phenylthiophene-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.57 Ų, Ethyl 2-[(indolinylthioxomethyl)amino]-5-phenylthiophene-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2-[(indolinylthioxomethyl)amino]-5-phenylthiophene-3-carboxylate has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Ethyl 2-[(indolinylthioxomethyl)amino]-5-phenylthiophene-3-carboxylate?
The CAS number of Ethyl 2-[(indolinylthioxomethyl)amino]-5-phenylthiophene-3-carboxylate is 590351-77-2.
What is the molecular formula of Ethyl 2-[(indolinylthioxomethyl)amino]-5-phenylthiophene-3-carboxylate?
The molecular formula of Ethyl 2-[(indolinylthioxomethyl)amino]-5-phenylthiophene-3-carboxylate is C22H20N2O2S2.
What is the molecular weight of Ethyl 2-[(indolinylthioxomethyl)amino]-5-phenylthiophene-3-carboxylate?
The molecular weight of Ethyl 2-[(indolinylthioxomethyl)amino]-5-phenylthiophene-3-carboxylate is 408.10 g/mol.
Where can I buy Ethyl 2-[(indolinylthioxomethyl)amino]-5-phenylthiophene-3-carboxylate?
You can request a quote for Ethyl 2-[(indolinylthioxomethyl)amino]-5-phenylthiophene-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-[(indolinylthioxomethyl)amino]-5-phenylthiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-[(indolinylthioxomethyl)amino]-5-phenylthiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.