![[3-[(Z)-2-chloro-2-isocyanoethenyl]-2-oxo-1H-indol-3-yl] acetate structure](/static/products/906/90632-49-8.png)
[3-[(Z)-2-chloro-2-isocyanoethenyl]-2-oxo-1H-indol-3-yl] acetate
TL;DR: [3-[(Z)-2-chloro-2-isocyanoethenyl]-2-oxo-1H-indol-3-yl] acetate (CAS 90632-49-8) is a chemical compound with molecular formula C13H9ClN2O3 and molecular weight 276.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-[(Z)-2-chloro-2-isocyanoethenyl]-2-oxo-1H-indol-3-yl] acetate
Also Known As: Indisocin, [3-[(Z)-2-chloro-2-isocyanoethenyl]-2-oxo-1H-indol-3-yl] acetate, 1,3-Dihydro-3-(acetyloxy)-3-(2-chloro-2-isocyanoethenyl)-2H-indol-2-one (E)-(+)-, 2H-Indol-2-one, 1,3-dihydro-3-(acetyloxy)-3-(2-chloro-2-isocyanoethenyl)-, (E)-(+)-
| Molecular Formula | C13H9ClN2O3 |
|---|---|
| Molecular Weight | 276.03 g/mol |
| LogP | 2.39659 |
| Topological Polar Surface Area | 59.76 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 276.03018 |
| Heavy Atoms | 19 |
| Complexity | 633.0206 |
Chemical Identifiers
| CAS Number | 90632-49-8 |
|---|---|
| SMILES | CC(=O)OC1(C2=CC=CC=C2NC1=O)/C=C(/[N+]#[C-])\Cl |
Product Overview
[3-[(Z)-2-chloro-2-isocyanoethenyl]-2-oxo-1H-indol-3-yl] acetate (CAS 90632-49-8), with molecular formula C13H9ClN2O3 and molecular weight 276.03 g/mol. IUPAC: [3-[(Z)-2-chloro-2-isocyanoethenyl]-2-oxo-1H-indol-3-yl] acetate.
Chemical Property Profile of [3-[(Z)-2-chloro-2-isocyanoethenyl]-2-oxo-1H-indol-3-yl] acetate
Property Insights of [3-[(Z)-2-chloro-2-isocyanoethenyl]-2-oxo-1H-indol-3-yl] acetate
The XLogP value of 2.39659 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [3-[(Z)-2-chloro-2-isocyanoethenyl]-2-oxo-1H-indol-3-yl] acetate. With a topological polar surface area (TPSA) of 59.76 Ų, [3-[(Z)-2-chloro-2-isocyanoethenyl]-2-oxo-1H-indol-3-yl] acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, [3-[(Z)-2-chloro-2-isocyanoethenyl]-2-oxo-1H-indol-3-yl] acetate has 1 hydrogen bond donor(s) and 3 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-isocyanoethenyl]-2-oxo-1H-indol-3-yl] acetate?
The CAS number of [3-[(Z)-2-chloro-2-isocyanoethenyl]-2-oxo-1H-indol-3-yl] acetate is 90632-49-8.
What is the molecular formula of [3-[(Z)-2-chloro-2-isocyanoethenyl]-2-oxo-1H-indol-3-yl] acetate?
The molecular formula of [3-[(Z)-2-chloro-2-isocyanoethenyl]-2-oxo-1H-indol-3-yl] acetate is C13H9ClN2O3.
What is the molecular weight of [3-[(Z)-2-chloro-2-isocyanoethenyl]-2-oxo-1H-indol-3-yl] acetate?
The molecular weight of [3-[(Z)-2-chloro-2-isocyanoethenyl]-2-oxo-1H-indol-3-yl] acetate is 276.03 g/mol.
Where can I buy [3-[(Z)-2-chloro-2-isocyanoethenyl]-2-oxo-1H-indol-3-yl] acetate?
You can request a quote for [3-[(Z)-2-chloro-2-isocyanoethenyl]-2-oxo-1H-indol-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-isocyanoethenyl]-2-oxo-1H-indol-3-yl] acetate?
Yes, KEHONG BIO provides custom synthesis services for [3-[(Z)-2-chloro-2-isocyanoethenyl]-2-oxo-1H-indol-3-yl] acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.