![methyl 4-[(2,3-dihydro-1H-indol-1-ylcarbonothioyl)amino]-4-oxobutanoate structure](/static/products/642/642948-59-2.png)
methyl 4-[(2,3-dihydro-1H-indol-1-ylcarbonothioyl)amino]-4-oxobutanoate
TL;DR: methyl 4-[(2,3-dihydro-1H-indol-1-ylcarbonothioyl)amino]-4-oxobutanoate (CAS 642948-59-2) is a chemical compound with molecular formula C14H16N2O3S and molecular weight 292.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-(2,3-dihydroindole-1-carbothioylamino)-4-oxobutanoate
Also Known As: methyl 3-[N-(indolinylthioxomethyl)carbamoyl]propanoate, methyl 4-[(2,3-dihydro-1H-indol-1-ylcarbonothioyl)amino]-4-oxobutanoate, methyl 4-(2,3-dihydroindole-1-carbothioylamino)-4-oxobutanoate
| Molecular Formula | C14H16N2O3S |
|---|---|
| Molecular Weight | 292.09 g/mol |
| LogP | 1.4034 |
| Topological Polar Surface Area | 58.64 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 292.08817 |
| Heavy Atoms | 20 |
| Complexity | 544.97546 |
Chemical Identifiers
| CAS Number | 642948-59-2 |
|---|---|
| SMILES | COC(=O)CCC(=O)NC(=S)N1CCC2=CC=CC=C21 |
Product Overview
methyl 4-[(2,3-dihydro-1H-indol-1-ylcarbonothioyl)amino]-4-oxobutanoate (CAS 642948-59-2), with molecular formula C14H16N2O3S and molecular weight 292.09 g/mol. IUPAC: methyl 4-(2,3-dihydroindole-1-carbothioylamino)-4-oxobutanoate.
Chemical Property Profile of methyl 4-[(2,3-dihydro-1H-indol-1-ylcarbonothioyl)amino]-4-oxobutanoate
Property Insights of methyl 4-[(2,3-dihydro-1H-indol-1-ylcarbonothioyl)amino]-4-oxobutanoate
The XLogP value of 1.4034 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 4-[(2,3-dihydro-1H-indol-1-ylcarbonothioyl)amino]-4-oxobutanoate. With a topological polar surface area (TPSA) of 58.64 Ų, methyl 4-[(2,3-dihydro-1H-indol-1-ylcarbonothioyl)amino]-4-oxobutanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl 4-[(2,3-dihydro-1H-indol-1-ylcarbonothioyl)amino]-4-oxobutanoate 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 methyl 4-[(2,3-dihydro-1H-indol-1-ylcarbonothioyl)amino]-4-oxobutanoate?
The CAS number of methyl 4-[(2,3-dihydro-1H-indol-1-ylcarbonothioyl)amino]-4-oxobutanoate is 642948-59-2.
What is the molecular formula of methyl 4-[(2,3-dihydro-1H-indol-1-ylcarbonothioyl)amino]-4-oxobutanoate?
The molecular formula of methyl 4-[(2,3-dihydro-1H-indol-1-ylcarbonothioyl)amino]-4-oxobutanoate is C14H16N2O3S.
What is the molecular weight of methyl 4-[(2,3-dihydro-1H-indol-1-ylcarbonothioyl)amino]-4-oxobutanoate?
The molecular weight of methyl 4-[(2,3-dihydro-1H-indol-1-ylcarbonothioyl)amino]-4-oxobutanoate is 292.09 g/mol.
Where can I buy methyl 4-[(2,3-dihydro-1H-indol-1-ylcarbonothioyl)amino]-4-oxobutanoate?
You can request a quote for methyl 4-[(2,3-dihydro-1H-indol-1-ylcarbonothioyl)amino]-4-oxobutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 4-[(2,3-dihydro-1H-indol-1-ylcarbonothioyl)amino]-4-oxobutanoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4-[(2,3-dihydro-1H-indol-1-ylcarbonothioyl)amino]-4-oxobutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.