![ethyl 2-[3-(carbamothioylhydrazinylidene)-2-oxoindol-1-yl]acetate structure](/static/products/434/4341-70-2.png)
ethyl 2-[3-(carbamothioylhydrazinylidene)-2-oxoindol-1-yl]acetate
TL;DR: ethyl 2-[3-(carbamothioylhydrazinylidene)-2-oxoindol-1-yl]acetate (CAS 4341-70-2) 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 2-[3-(carbamothioyldiazenyl)-2-hydroxyindol-1-yl]acetate
Also Known As: ethyl 2-[3-(carbamothioylhydrazinylidene)-2-oxoindol-1-yl]acetate, (Z)-ethyl 2-(3-(2-carbamothioylhydrazono)-2-oxoindolin-1-yl)acetate, ethyl 2-[(3E)-3-(carbamothioylhydrazinylidene)-2-oxoindol-1-yl]acetate, ethyl 2-[(3Z)-3-(carbamothioylhydrazinylidene)-2-oxoindol-1-yl]acetate, ethyl [(3Z)-3-(2-carbamothioylhydrazinylidene)-2-oxo-2,3-dihydro-1H-indol-1-yl]acetate
| Molecular Formula | C13H14N4O3S |
|---|---|
| Molecular Weight | 306.08 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 134.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 306.07867 |
| Heavy Atoms | 21 |
| Complexity | 432.0 |
Chemical Identifiers
| CAS Number | 4341-70-2 |
|---|---|
| SMILES | CCOC(=O)CN1C2=CC=CC=C2C(=C1O)N=NC(=S)N |
| InChIKey | HJBNHJLLYYNZQA-UHFFFAOYSA-N |
Product Overview
ethyl 2-[3-(carbamothioylhydrazinylidene)-2-oxoindol-1-yl]acetate (CAS 4341-70-2), with molecular formula C13H14N4O3S and molecular weight 306.08 g/mol. IUPAC: ethyl 2-[3-(carbamothioyldiazenyl)-2-hydroxyindol-1-yl]acetate.
Chemical Property Profile of ethyl 2-[3-(carbamothioylhydrazinylidene)-2-oxoindol-1-yl]acetate
Property Insights of ethyl 2-[3-(carbamothioylhydrazinylidene)-2-oxoindol-1-yl]acetate
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 2-[3-(carbamothioylhydrazinylidene)-2-oxoindol-1-yl]acetate. The TPSA of 134.0 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 2-[3-(carbamothioylhydrazinylidene)-2-oxoindol-1-yl]acetate. Following Lipinski's Rule of Five, ethyl 2-[3-(carbamothioylhydrazinylidene)-2-oxoindol-1-yl]acetate 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 2-[3-(carbamothioylhydrazinylidene)-2-oxoindol-1-yl]acetate?
The CAS number of ethyl 2-[3-(carbamothioylhydrazinylidene)-2-oxoindol-1-yl]acetate is 4341-70-2.
What is the molecular formula of ethyl 2-[3-(carbamothioylhydrazinylidene)-2-oxoindol-1-yl]acetate?
The molecular formula of ethyl 2-[3-(carbamothioylhydrazinylidene)-2-oxoindol-1-yl]acetate is C13H14N4O3S.
What is the molecular weight of ethyl 2-[3-(carbamothioylhydrazinylidene)-2-oxoindol-1-yl]acetate?
The molecular weight of ethyl 2-[3-(carbamothioylhydrazinylidene)-2-oxoindol-1-yl]acetate is 306.08 g/mol.
Where can I buy ethyl 2-[3-(carbamothioylhydrazinylidene)-2-oxoindol-1-yl]acetate?
You can request a quote for ethyl 2-[3-(carbamothioylhydrazinylidene)-2-oxoindol-1-yl]acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 2-[3-(carbamothioylhydrazinylidene)-2-oxoindol-1-yl]acetate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-[3-(carbamothioylhydrazinylidene)-2-oxoindol-1-yl]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.