![[3-[(Z)-2-chloro-2-cyanoethenyl]-1-methyl-2-oxoindol-3-yl] acetate structure](/static/products/906/90632-48-7.png)
[3-[(Z)-2-chloro-2-cyanoethenyl]-1-methyl-2-oxoindol-3-yl] acetate
TL;DR: [3-[(Z)-2-chloro-2-cyanoethenyl]-1-methyl-2-oxoindol-3-yl] acetate (CAS 90632-48-7) is a chemical compound with molecular formula C14H11ClN2O3 and molecular weight 290.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-[(Z)-2-chloro-2-cyanoethenyl]-1-methyl-2-oxoindol-3-yl] acetate
Also Known As: N-Methylindisocin, [3-[(Z)-2-chloro-2-cyanoethenyl]-1-methyl-2-oxoindol-3-yl] acetate, 2-Propenenitrile, 3-(3-(acetyloxy)-2,3-dihydro-1-methyl-2-oxo-1H-indol-3-yl)-2-chloro-
| Molecular Formula | C14H11ClN2O3 |
|---|---|
| Molecular Weight | 290.05 g/mol |
| LogP | 2.06768 |
| Topological Polar Surface Area | 70.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 290.0458 |
| Heavy Atoms | 20 |
| Complexity | 662.628 |
Chemical Identifiers
| CAS Number | 90632-48-7 |
|---|---|
| SMILES | CC(=O)OC1(C2=CC=CC=C2N(C1=O)C)/C=C(/C#N)\Cl |
Product Overview
[3-[(Z)-2-chloro-2-cyanoethenyl]-1-methyl-2-oxoindol-3-yl] acetate (CAS 90632-48-7), with molecular formula C14H11ClN2O3 and molecular weight 290.05 g/mol. IUPAC: [3-[(Z)-2-chloro-2-cyanoethenyl]-1-methyl-2-oxoindol-3-yl] acetate.
Chemical Property Profile of [3-[(Z)-2-chloro-2-cyanoethenyl]-1-methyl-2-oxoindol-3-yl] acetate
Property Insights of [3-[(Z)-2-chloro-2-cyanoethenyl]-1-methyl-2-oxoindol-3-yl] acetate
The XLogP value of 2.06768 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [3-[(Z)-2-chloro-2-cyanoethenyl]-1-methyl-2-oxoindol-3-yl] acetate. The TPSA of 70.4 Ų falls within the moderate polarity range, balancing permeability and solubility for [3-[(Z)-2-chloro-2-cyanoethenyl]-1-methyl-2-oxoindol-3-yl] acetate. Following Lipinski's Rule of Five, [3-[(Z)-2-chloro-2-cyanoethenyl]-1-methyl-2-oxoindol-3-yl] acetate has 0 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 [3-[(Z)-2-chloro-2-cyanoethenyl]-1-methyl-2-oxoindol-3-yl] acetate?
The CAS number of [3-[(Z)-2-chloro-2-cyanoethenyl]-1-methyl-2-oxoindol-3-yl] acetate is 90632-48-7.
What is the molecular formula of [3-[(Z)-2-chloro-2-cyanoethenyl]-1-methyl-2-oxoindol-3-yl] acetate?
The molecular formula of [3-[(Z)-2-chloro-2-cyanoethenyl]-1-methyl-2-oxoindol-3-yl] acetate is C14H11ClN2O3.
What is the molecular weight of [3-[(Z)-2-chloro-2-cyanoethenyl]-1-methyl-2-oxoindol-3-yl] acetate?
The molecular weight of [3-[(Z)-2-chloro-2-cyanoethenyl]-1-methyl-2-oxoindol-3-yl] acetate is 290.05 g/mol.
Where can I buy [3-[(Z)-2-chloro-2-cyanoethenyl]-1-methyl-2-oxoindol-3-yl] acetate?
You can request a quote for [3-[(Z)-2-chloro-2-cyanoethenyl]-1-methyl-2-oxoindol-3-yl] acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [3-[(Z)-2-chloro-2-cyanoethenyl]-1-methyl-2-oxoindol-3-yl] acetate?
Yes, KEHONG BIO provides custom synthesis services for [3-[(Z)-2-chloro-2-cyanoethenyl]-1-methyl-2-oxoindol-3-yl] acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.