2-(4-chloro-3-nitrophenyl)-2-oxoethyl (1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)acetate
TL;DR: 2-(4-chloro-3-nitrophenyl)-2-oxoethyl (1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)acetate (CAS 6436-79-9) is a chemical compound with molecular formula C18H15ClN2O7 and molecular weight 406.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(4-chloro-3-nitrophenyl)-2-oxoethyl] 2-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)acetate
Also Known As: 2-(4-chloro-3-nitrophenyl)-2-oxoethyl (1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)acetate, [2-(4-chloro-3-nitrophenyl)-2-oxoethyl] 2-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)acetate, [2-(4-chloranyl-3-nitro-phenyl)-2-oxidanylidene-ethyl] 2-[1,3-bis(oxidanylidene)-3a,4,7,7a-tetrahydroisoindol-2-yl]ethanoate, 2-(1,3-diketo-3a,4,7,7a-tetrahydroisoindol-2-yl)acetic acid [2-(4-chloro-3-nitro-phenyl)-2-keto-ethyl] ester, 2-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)acetic acid [2-(4-chloro-3-nitrophenyl)-2-oxoethyl] ester
| Molecular Formula | C18H15ClN2O7 |
|---|---|
| Molecular Weight | 406.06 g/mol |
| LogP | 1.9253 |
| Topological Polar Surface Area | 123.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 406.0568 |
| Heavy Atoms | 28 |
| Complexity | 885.19525 |
Chemical Identifiers
| CAS Number | 6436-79-9 |
|---|---|
| SMILES | C1C=CCC2C1C(=O)N(C2=O)CC(=O)OCC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-] |
Product Overview
2-(4-chloro-3-nitrophenyl)-2-oxoethyl (1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)acetate (CAS 6436-79-9), with molecular formula C18H15ClN2O7 and molecular weight 406.06 g/mol. IUPAC: [2-(4-chloro-3-nitrophenyl)-2-oxoethyl] 2-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)acetate.
Chemical Property Profile of 2-(4-chloro-3-nitrophenyl)-2-oxoethyl (1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)acetate
Property Insights of 2-(4-chloro-3-nitrophenyl)-2-oxoethyl (1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)acetate
The XLogP value of 1.9253 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4-chloro-3-nitrophenyl)-2-oxoethyl (1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)acetate. The TPSA of 123.89 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-chloro-3-nitrophenyl)-2-oxoethyl (1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)acetate. Following Lipinski's Rule of Five, 2-(4-chloro-3-nitrophenyl)-2-oxoethyl (1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)acetate has 0 hydrogen bond donor(s) and 7 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-(4-chloro-3-nitrophenyl)-2-oxoethyl (1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)acetate?
The CAS number of 2-(4-chloro-3-nitrophenyl)-2-oxoethyl (1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)acetate is 6436-79-9.
What is the molecular formula of 2-(4-chloro-3-nitrophenyl)-2-oxoethyl (1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)acetate?
The molecular formula of 2-(4-chloro-3-nitrophenyl)-2-oxoethyl (1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)acetate is C18H15ClN2O7.
What is the molecular weight of 2-(4-chloro-3-nitrophenyl)-2-oxoethyl (1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)acetate?
The molecular weight of 2-(4-chloro-3-nitrophenyl)-2-oxoethyl (1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)acetate is 406.06 g/mol.
Where can I buy 2-(4-chloro-3-nitrophenyl)-2-oxoethyl (1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)acetate?
You can request a quote for 2-(4-chloro-3-nitrophenyl)-2-oxoethyl (1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-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-(4-chloro-3-nitrophenyl)-2-oxoethyl (1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)acetate?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-chloro-3-nitrophenyl)-2-oxoethyl (1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.