ChemDiv1_010163
TL;DR: ChemDiv1_010163 (CAS 438470-05-4) is a chemical compound with molecular formula C25H22N2O7 and molecular weight 462.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(4-methyl-3-nitrophenyl)-2-oxoethyl] 3-(4-methyl-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)benzoate
Also Known As: ChemDiv1_010163, 2-(4-methyl-3-nitrophenyl)-2-oxoethyl 3-(4-methyl-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)benzoate, [2-(4-methyl-3-nitrophenyl)-2-oxoethyl] 3-(4-methyl-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)benzoate, 2-(4-METHYL-3-NITROPHENYL)-2-OXOETHYL 3-(4-METHYL-1,3-DIOXO-2,3,3A,4,7,7A-HEXAHYDRO-1H-ISOINDOL-2-YL)BENZOATE, 2-(4-methyl-3-nitrophenyl)-2-oxoethyl 3-(4-methyl-1,3-dioxo-3a,4,7,7a-tetrahydro-1H-isoindol-2(3H)-yl)benzoate
| Molecular Formula | C25H22N2O7 |
|---|---|
| Molecular Weight | 462.14 g/mol |
| LogP | 3.64452 |
| Topological Polar Surface Area | 123.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 462.1427 |
| Heavy Atoms | 34 |
| Complexity | 1249.5753 |
Chemical Identifiers
| CAS Number | 438470-05-4 |
|---|---|
| SMILES | CC1C=CCC2C1C(=O)N(C2=O)C3=CC=CC(=C3)C(=O)OCC(=O)C4=CC(=C(C=C4)C)[N+](=O)[O-] |
Product Overview
ChemDiv1_010163 (CAS 438470-05-4), with molecular formula C25H22N2O7 and molecular weight 462.14 g/mol. IUPAC: [2-(4-methyl-3-nitrophenyl)-2-oxoethyl] 3-(4-methyl-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)benzoate.
Chemical Property Profile of ChemDiv1_010163
Property Insights of ChemDiv1_010163
The XLogP value of 3.64452 indicates that ChemDiv1_010163 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 123.89 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_010163. Following Lipinski's Rule of Five, ChemDiv1_010163 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 ChemDiv1_010163?
The CAS number of ChemDiv1_010163 is 438470-05-4.
What is the molecular formula of ChemDiv1_010163?
The molecular formula of ChemDiv1_010163 is C25H22N2O7.
What is the molecular weight of ChemDiv1_010163?
The molecular weight of ChemDiv1_010163 is 462.14 g/mol.
Where can I buy ChemDiv1_010163?
You can request a quote for ChemDiv1_010163 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_010163?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_010163 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.