![[(1-cyanocyclohexyl)carbamoyl]methyl 1,3-dioxo-2-(prop-2-en-1-yl)-2,3-dihydro-1H-isoindole-5-carboxylate structure](/static/products/923/923816-08-4.png)
[(1-cyanocyclohexyl)carbamoyl]methyl 1,3-dioxo-2-(prop-2-en-1-yl)-2,3-dihydro-1H-isoindole-5-carboxylate
TL;DR: [(1-cyanocyclohexyl)carbamoyl]methyl 1,3-dioxo-2-(prop-2-en-1-yl)-2,3-dihydro-1H-isoindole-5-carboxylate (CAS 923816-08-4) is a chemical compound with molecular formula C21H21N3O5 and molecular weight 395.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] 1,3-dioxo-2-prop-2-enylisoindole-5-carboxylate
Also Known As: [(1-cyanocyclohexyl)carbamoyl]methyl 1,3-dioxo-2-(prop-2-en-1-yl)-2,3-dihydro-1H-isoindole-5-carboxylate|[2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] 1,3-dioxo-2-prop-2-enylisoindole-5-carboxylate|EN300-26688014
| Molecular Formula | C21H21N3O5 |
|---|---|
| Molecular Weight | 395.15 g/mol |
| LogP | 1.96808 |
| Topological Polar Surface Area | 116.57 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 395.14813 |
| Heavy Atoms | 29 |
| Complexity | 924.7345 |
Chemical Identifiers
| CAS Number | 923816-08-4 |
|---|---|
| SMILES | C=CCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)OCC(=O)NC3(CCCCC3)C#N |
Product Overview
[(1-cyanocyclohexyl)carbamoyl]methyl 1,3-dioxo-2-(prop-2-en-1-yl)-2,3-dihydro-1H-isoindole-5-carboxylate (CAS 923816-08-4), with molecular formula C21H21N3O5 and molecular weight 395.15 g/mol. IUPAC: [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] 1,3-dioxo-2-prop-2-enylisoindole-5-carboxylate.
Chemical Property Profile of [(1-cyanocyclohexyl)carbamoyl]methyl 1,3-dioxo-2-(prop-2-en-1-yl)-2,3-dihydro-1H-isoindole-5-carboxylate
Property Insights of [(1-cyanocyclohexyl)carbamoyl]methyl 1,3-dioxo-2-(prop-2-en-1-yl)-2,3-dihydro-1H-isoindole-5-carboxylate
The XLogP value of 1.96808 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [(1-cyanocyclohexyl)carbamoyl]methyl 1,3-dioxo-2-(prop-2-en-1-yl)-2,3-dihydro-1H-isoindole-5-carboxylate. The TPSA of 116.57 Ų falls within the moderate polarity range, balancing permeability and solubility for [(1-cyanocyclohexyl)carbamoyl]methyl 1,3-dioxo-2-(prop-2-en-1-yl)-2,3-dihydro-1H-isoindole-5-carboxylate. Following Lipinski's Rule of Five, [(1-cyanocyclohexyl)carbamoyl]methyl 1,3-dioxo-2-(prop-2-en-1-yl)-2,3-dihydro-1H-isoindole-5-carboxylate has 1 hydrogen bond donor(s) and 6 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 [(1-cyanocyclohexyl)carbamoyl]methyl 1,3-dioxo-2-(prop-2-en-1-yl)-2,3-dihydro-1H-isoindole-5-carboxylate?
The CAS number of [(1-cyanocyclohexyl)carbamoyl]methyl 1,3-dioxo-2-(prop-2-en-1-yl)-2,3-dihydro-1H-isoindole-5-carboxylate is 923816-08-4.
What is the molecular formula of [(1-cyanocyclohexyl)carbamoyl]methyl 1,3-dioxo-2-(prop-2-en-1-yl)-2,3-dihydro-1H-isoindole-5-carboxylate?
The molecular formula of [(1-cyanocyclohexyl)carbamoyl]methyl 1,3-dioxo-2-(prop-2-en-1-yl)-2,3-dihydro-1H-isoindole-5-carboxylate is C21H21N3O5.
What is the molecular weight of [(1-cyanocyclohexyl)carbamoyl]methyl 1,3-dioxo-2-(prop-2-en-1-yl)-2,3-dihydro-1H-isoindole-5-carboxylate?
The molecular weight of [(1-cyanocyclohexyl)carbamoyl]methyl 1,3-dioxo-2-(prop-2-en-1-yl)-2,3-dihydro-1H-isoindole-5-carboxylate is 395.15 g/mol.
Where can I buy [(1-cyanocyclohexyl)carbamoyl]methyl 1,3-dioxo-2-(prop-2-en-1-yl)-2,3-dihydro-1H-isoindole-5-carboxylate?
You can request a quote for [(1-cyanocyclohexyl)carbamoyl]methyl 1,3-dioxo-2-(prop-2-en-1-yl)-2,3-dihydro-1H-isoindole-5-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [(1-cyanocyclohexyl)carbamoyl]methyl 1,3-dioxo-2-(prop-2-en-1-yl)-2,3-dihydro-1H-isoindole-5-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for [(1-cyanocyclohexyl)carbamoyl]methyl 1,3-dioxo-2-(prop-2-en-1-yl)-2,3-dihydro-1H-isoindole-5-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.