methyl 2-(2,3-dihydroindole-1-carbothioylamino)-5-methyl-4-phenylthiophene-3-carboxylate
TL;DR: methyl 2-(2,3-dihydroindole-1-carbothioylamino)-5-methyl-4-phenylthiophene-3-carboxylate (CAS 588692-71-1) 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.
methyl 2-(2,3-dihydroindole-1-carbothioylamino)-5-methyl-4-phenylthiophene-3-carboxylate
Also Known As: methyl 2-(2,3-dihydroindole-1-carbothioylamino)-5-methyl-4-phenylthiophene-3-carboxylate, Methyl 2-(2,3-dihydroindole-1-carbothioylamino)-5-methyl-4-phenyl-thiophene-3-carboxylate, methyl 2-(indoline-1-carbothioamido)-5-methyl-4-phenylthiophene-3-carboxylate, methyl 2-[(indolinylthioxomethyl)amino]-5-methyl-4-phenylthiophene-3-carboxyla te, methyl 2-[(2,3-dihydro-1H-indol-1-ylcarbonothioyl)amino]-5-methyl-4-phenylthiophene-3-carboxylate
| Molecular Formula | C22H20N2O2S2 |
|---|---|
| Molecular Weight | 408.10 g/mol |
| LogP | 5.26962 |
| Topological Polar Surface Area | 41.57 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 408.09662 |
| Heavy Atoms | 28 |
| Complexity | 1043.9452 |
Chemical Identifiers
| CAS Number | 588692-71-1 |
|---|---|
| SMILES | CC1=C(C(=C(S1)NC(=S)N2CCC3=CC=CC=C32)C(=O)OC)C4=CC=CC=C4 |
Product Overview
methyl 2-(2,3-dihydroindole-1-carbothioylamino)-5-methyl-4-phenylthiophene-3-carboxylate (CAS 588692-71-1), with molecular formula C22H20N2O2S2 and molecular weight 408.10 g/mol. IUPAC: methyl 2-(2,3-dihydroindole-1-carbothioylamino)-5-methyl-4-phenylthiophene-3-carboxylate.
Chemical Property Profile of methyl 2-(2,3-dihydroindole-1-carbothioylamino)-5-methyl-4-phenylthiophene-3-carboxylate
Property Insights of methyl 2-(2,3-dihydroindole-1-carbothioylamino)-5-methyl-4-phenylthiophene-3-carboxylate
The XLogP value of 5.26962 indicates that methyl 2-(2,3-dihydroindole-1-carbothioylamino)-5-methyl-4-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, methyl 2-(2,3-dihydroindole-1-carbothioylamino)-5-methyl-4-phenylthiophene-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl 2-(2,3-dihydroindole-1-carbothioylamino)-5-methyl-4-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 methyl 2-(2,3-dihydroindole-1-carbothioylamino)-5-methyl-4-phenylthiophene-3-carboxylate?
The CAS number of methyl 2-(2,3-dihydroindole-1-carbothioylamino)-5-methyl-4-phenylthiophene-3-carboxylate is 588692-71-1.
What is the molecular formula of methyl 2-(2,3-dihydroindole-1-carbothioylamino)-5-methyl-4-phenylthiophene-3-carboxylate?
The molecular formula of methyl 2-(2,3-dihydroindole-1-carbothioylamino)-5-methyl-4-phenylthiophene-3-carboxylate is C22H20N2O2S2.
What is the molecular weight of methyl 2-(2,3-dihydroindole-1-carbothioylamino)-5-methyl-4-phenylthiophene-3-carboxylate?
The molecular weight of methyl 2-(2,3-dihydroindole-1-carbothioylamino)-5-methyl-4-phenylthiophene-3-carboxylate is 408.10 g/mol.
Where can I buy methyl 2-(2,3-dihydroindole-1-carbothioylamino)-5-methyl-4-phenylthiophene-3-carboxylate?
You can request a quote for methyl 2-(2,3-dihydroindole-1-carbothioylamino)-5-methyl-4-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 methyl 2-(2,3-dihydroindole-1-carbothioylamino)-5-methyl-4-phenylthiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-(2,3-dihydroindole-1-carbothioylamino)-5-methyl-4-phenylthiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.