2-(biphenyl-4-yl)-2-oxoethyl 4-(4-methyl-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)benzoate
TL;DR: 2-(biphenyl-4-yl)-2-oxoethyl 4-(4-methyl-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)benzoate (CAS 474376-66-4) is a chemical compound with molecular formula C30H25NO5 and molecular weight 479.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-oxo-2-(4-phenylphenyl)ethyl] 4-(4-methyl-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)benzoate
Also Known As: 2-(biphenyl-4-yl)-2-oxoethyl 4-(4-methyl-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)benzoate, [2-oxo-2-(4-phenylphenyl)ethyl] 4-(4-methyl-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)benzoate, 2-([1,1'-biphenyl]-4-yl)-2-oxoethyl 4-(4-methyl-1,3-dioxo-3a,4,7,7a-tetrahydro-1H-isoindol-2(3H)-yl)benzoate, 2-[1,1'-biphenyl]-4-yl-2-oxoethyl 4-(4-methyl-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)benzoate, 2-{[1,1'-BIPHENYL]-4-YL}-2-OXOETHYL 4-(4-METHYL-1,3-DIOXO-3A,4,7,7A-TETRAHYDROISOINDOL-2-YL)BENZOATE
| Molecular Formula | C30H25NO5 |
|---|---|
| Molecular Weight | 479.17 g/mol |
| LogP | 5.0949 |
| Topological Polar Surface Area | 80.75 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 479.17328 |
| Heavy Atoms | 36 |
| Complexity | 1342.3513 |
Chemical Identifiers
| CAS Number | 474376-66-4 |
|---|---|
| SMILES | CC1C=CCC2C1C(=O)N(C2=O)C3=CC=C(C=C3)C(=O)OCC(=O)C4=CC=C(C=C4)C5=CC=CC=C5 |
Product Overview
2-(biphenyl-4-yl)-2-oxoethyl 4-(4-methyl-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)benzoate (CAS 474376-66-4), with molecular formula C30H25NO5 and molecular weight 479.17 g/mol. IUPAC: [2-oxo-2-(4-phenylphenyl)ethyl] 4-(4-methyl-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)benzoate.
Chemical Property Profile of 2-(biphenyl-4-yl)-2-oxoethyl 4-(4-methyl-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)benzoate
Property Insights of 2-(biphenyl-4-yl)-2-oxoethyl 4-(4-methyl-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)benzoate
The XLogP value of 5.0949 indicates that 2-(biphenyl-4-yl)-2-oxoethyl 4-(4-methyl-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.75 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(biphenyl-4-yl)-2-oxoethyl 4-(4-methyl-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)benzoate. Following Lipinski's Rule of Five, 2-(biphenyl-4-yl)-2-oxoethyl 4-(4-methyl-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)benzoate has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-(biphenyl-4-yl)-2-oxoethyl 4-(4-methyl-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)benzoate?
The CAS number of 2-(biphenyl-4-yl)-2-oxoethyl 4-(4-methyl-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)benzoate is 474376-66-4.
What is the molecular formula of 2-(biphenyl-4-yl)-2-oxoethyl 4-(4-methyl-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)benzoate?
The molecular formula of 2-(biphenyl-4-yl)-2-oxoethyl 4-(4-methyl-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)benzoate is C30H25NO5.
What is the molecular weight of 2-(biphenyl-4-yl)-2-oxoethyl 4-(4-methyl-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)benzoate?
The molecular weight of 2-(biphenyl-4-yl)-2-oxoethyl 4-(4-methyl-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)benzoate is 479.17 g/mol.
Where can I buy 2-(biphenyl-4-yl)-2-oxoethyl 4-(4-methyl-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)benzoate?
You can request a quote for 2-(biphenyl-4-yl)-2-oxoethyl 4-(4-methyl-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(biphenyl-4-yl)-2-oxoethyl 4-(4-methyl-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-(biphenyl-4-yl)-2-oxoethyl 4-(4-methyl-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.