ethyl 3-(carbamothioylhydrazinylidene)-5-methyl-2-oxoindole-1-carboxylate
TL;DR: ethyl 3-(carbamothioylhydrazinylidene)-5-methyl-2-oxoindole-1-carboxylate (CAS 69408-41-9) is a chemical compound with molecular formula C13H14N4O3S and molecular weight 306.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-(carbamothioyldiazenyl)-2-hydroxy-5-methylindole-1-carboxylate
Also Known As: ethyl 3-(carbamothioylhydrazinylidene)-5-methyl-2-oxoindole-1-carboxylate, (Z)-ethyl 3-(2-carbamothioylhydrazono)-5-methyl-2-oxoindoline-1-carboxylate, ethyl (3E)-3-(carbamothioylhydrazinylidene)-5-methyl-2-oxoindole-1-carboxylate, ethyl (3Z)-3-(carbamothioylhydrazinylidene)-5-methyl-2-oxoindole-1-carboxylate, ethyl (3Z)-3-(2-carbamothioylhydrazinylidene)-5-methyl-2-oxo-2,3-dihydro-1H-indole-1-carboxylate
| Molecular Formula | C13H14N4O3S |
|---|---|
| Molecular Weight | 306.08 g/mol |
| LogP | 2.98722 |
| Topological Polar Surface Area | 102.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 306.07867 |
| Heavy Atoms | 21 |
| Complexity | 751.4446 |
Chemical Identifiers
| CAS Number | 69408-41-9 |
|---|---|
| SMILES | CCOC(=O)N1C2=C(C=C(C=C2)C)C(=C1O)N=NC(=S)N |
Product Overview
ethyl 3-(carbamothioylhydrazinylidene)-5-methyl-2-oxoindole-1-carboxylate (CAS 69408-41-9), with molecular formula C13H14N4O3S and molecular weight 306.08 g/mol. IUPAC: ethyl 3-(carbamothioyldiazenyl)-2-hydroxy-5-methylindole-1-carboxylate.
Chemical Property Profile of ethyl 3-(carbamothioylhydrazinylidene)-5-methyl-2-oxoindole-1-carboxylate
Property Insights of ethyl 3-(carbamothioylhydrazinylidene)-5-methyl-2-oxoindole-1-carboxylate
The XLogP value of 2.98722 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 3-(carbamothioylhydrazinylidene)-5-methyl-2-oxoindole-1-carboxylate. The TPSA of 102.2 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 3-(carbamothioylhydrazinylidene)-5-methyl-2-oxoindole-1-carboxylate. Following Lipinski's Rule of Five, ethyl 3-(carbamothioylhydrazinylidene)-5-methyl-2-oxoindole-1-carboxylate has 2 hydrogen bond donor(s) and 5 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 ethyl 3-(carbamothioylhydrazinylidene)-5-methyl-2-oxoindole-1-carboxylate?
The CAS number of ethyl 3-(carbamothioylhydrazinylidene)-5-methyl-2-oxoindole-1-carboxylate is 69408-41-9.
What is the molecular formula of ethyl 3-(carbamothioylhydrazinylidene)-5-methyl-2-oxoindole-1-carboxylate?
The molecular formula of ethyl 3-(carbamothioylhydrazinylidene)-5-methyl-2-oxoindole-1-carboxylate is C13H14N4O3S.
What is the molecular weight of ethyl 3-(carbamothioylhydrazinylidene)-5-methyl-2-oxoindole-1-carboxylate?
The molecular weight of ethyl 3-(carbamothioylhydrazinylidene)-5-methyl-2-oxoindole-1-carboxylate is 306.08 g/mol.
Where can I buy ethyl 3-(carbamothioylhydrazinylidene)-5-methyl-2-oxoindole-1-carboxylate?
You can request a quote for ethyl 3-(carbamothioylhydrazinylidene)-5-methyl-2-oxoindole-1-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 3-(carbamothioylhydrazinylidene)-5-methyl-2-oxoindole-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 3-(carbamothioylhydrazinylidene)-5-methyl-2-oxoindole-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.