![[2-(benzylcarbamoylamino)-2-oxoethyl] 2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)acetate structure](/static/products/852/852665-56-6.png)
[2-(benzylcarbamoylamino)-2-oxoethyl] 2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)acetate
TL;DR: [2-(benzylcarbamoylamino)-2-oxoethyl] 2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)acetate (CAS 852665-56-6) is a chemical compound with molecular formula C20H23N3O6 and molecular weight 401.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(benzylcarbamoylamino)-2-oxoethyl] 2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)acetate
Also Known As: [2-(benzylcarbamoylamino)-2-oxoethyl] 2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)acetate, [2-(benzylcarbamoylamino)-2-oxoethyl] 2-[(3aR,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]acetate
| Molecular Formula | C20H23N3O6 |
|---|---|
| Molecular Weight | 401.16 g/mol |
| LogP | 0.7308 |
| Topological Polar Surface Area | 121.88 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 401.1587 |
| Heavy Atoms | 29 |
| Complexity | 785.6944 |
Chemical Identifiers
| CAS Number | 852665-56-6 |
|---|---|
| SMILES | C1CCC2C(C1)C(=O)N(C2=O)CC(=O)OCC(=O)NC(=O)NCC3=CC=CC=C3 |
Product Overview
[2-(benzylcarbamoylamino)-2-oxoethyl] 2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)acetate (CAS 852665-56-6), with molecular formula C20H23N3O6 and molecular weight 401.16 g/mol. IUPAC: [2-(benzylcarbamoylamino)-2-oxoethyl] 2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)acetate.
Chemical Property Profile of [2-(benzylcarbamoylamino)-2-oxoethyl] 2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)acetate
Property Insights of [2-(benzylcarbamoylamino)-2-oxoethyl] 2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)acetate
The XLogP value of 0.7308 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [2-(benzylcarbamoylamino)-2-oxoethyl] 2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)acetate. The TPSA of 121.88 Ų falls within the moderate polarity range, balancing permeability and solubility for [2-(benzylcarbamoylamino)-2-oxoethyl] 2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)acetate. Following Lipinski's Rule of Five, [2-(benzylcarbamoylamino)-2-oxoethyl] 2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)acetate has 2 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 [2-(benzylcarbamoylamino)-2-oxoethyl] 2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)acetate?
The CAS number of [2-(benzylcarbamoylamino)-2-oxoethyl] 2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)acetate is 852665-56-6.
What is the molecular formula of [2-(benzylcarbamoylamino)-2-oxoethyl] 2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)acetate?
The molecular formula of [2-(benzylcarbamoylamino)-2-oxoethyl] 2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)acetate is C20H23N3O6.
What is the molecular weight of [2-(benzylcarbamoylamino)-2-oxoethyl] 2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)acetate?
The molecular weight of [2-(benzylcarbamoylamino)-2-oxoethyl] 2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)acetate is 401.16 g/mol.
Where can I buy [2-(benzylcarbamoylamino)-2-oxoethyl] 2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)acetate?
You can request a quote for [2-(benzylcarbamoylamino)-2-oxoethyl] 2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [2-(benzylcarbamoylamino)-2-oxoethyl] 2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)acetate?
Yes, KEHONG BIO provides custom synthesis services for [2-(benzylcarbamoylamino)-2-oxoethyl] 2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.