1-Methylheptyl 2-{3-nitrophenyl}-1,3-dioxoisoindoline-5-carboxylate
TL;DR: 1-Methylheptyl 2-{3-nitrophenyl}-1,3-dioxoisoindoline-5-carboxylate (CAS 351994-10-0) is a chemical compound with molecular formula C23H24N2O6 and molecular weight 424.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
octan-2-yl 2-(3-nitrophenyl)-1,3-dioxoisoindole-5-carboxylate
Also Known As: 1-methylheptyl 2-{3-nitrophenyl}-1,3-dioxoisoindoline-5-carboxylate, octan-2-yl 2-(3-nitrophenyl)-1,3-dioxoisoindole-5-carboxylate, methylheptyl 2-(3-nitrophenyl)-1,3-dioxobenzo[c]azoline-5-carboxylate, octan-2-yl 2-(3-nitrophenyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylate
| Molecular Formula | C23H24N2O6 |
|---|---|
| Molecular Weight | 424.16 g/mol |
| LogP | 4.9111 |
| Topological Polar Surface Area | 106.82 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 424.16342 |
| Heavy Atoms | 31 |
| Complexity | 1032.4768 |
Chemical Identifiers
| CAS Number | 351994-10-0 |
|---|---|
| SMILES | CCCCCCC(C)OC(=O)C1=CC2=C(C=C1)C(=O)N(C2=O)C3=CC(=CC=C3)[N+](=O)[O-] |
Product Overview
1-Methylheptyl 2-{3-nitrophenyl}-1,3-dioxoisoindoline-5-carboxylate (CAS 351994-10-0), with molecular formula C23H24N2O6 and molecular weight 424.16 g/mol. IUPAC: octan-2-yl 2-(3-nitrophenyl)-1,3-dioxoisoindole-5-carboxylate.
Chemical Property Profile of 1-Methylheptyl 2-{3-nitrophenyl}-1,3-dioxoisoindoline-5-carboxylate
Property Insights of 1-Methylheptyl 2-{3-nitrophenyl}-1,3-dioxoisoindoline-5-carboxylate
The XLogP value of 4.9111 indicates that 1-Methylheptyl 2-{3-nitrophenyl}-1,3-dioxoisoindoline-5-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 106.82 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Methylheptyl 2-{3-nitrophenyl}-1,3-dioxoisoindoline-5-carboxylate. Following Lipinski's Rule of Five, 1-Methylheptyl 2-{3-nitrophenyl}-1,3-dioxoisoindoline-5-carboxylate has 0 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-Methylheptyl 2-{3-nitrophenyl}-1,3-dioxoisoindoline-5-carboxylate?
The CAS number of 1-Methylheptyl 2-{3-nitrophenyl}-1,3-dioxoisoindoline-5-carboxylate is 351994-10-0.
What is the molecular formula of 1-Methylheptyl 2-{3-nitrophenyl}-1,3-dioxoisoindoline-5-carboxylate?
The molecular formula of 1-Methylheptyl 2-{3-nitrophenyl}-1,3-dioxoisoindoline-5-carboxylate is C23H24N2O6.
What is the molecular weight of 1-Methylheptyl 2-{3-nitrophenyl}-1,3-dioxoisoindoline-5-carboxylate?
The molecular weight of 1-Methylheptyl 2-{3-nitrophenyl}-1,3-dioxoisoindoline-5-carboxylate is 424.16 g/mol.
Where can I buy 1-Methylheptyl 2-{3-nitrophenyl}-1,3-dioxoisoindoline-5-carboxylate?
You can request a quote for 1-Methylheptyl 2-{3-nitrophenyl}-1,3-dioxoisoindoline-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-Methylheptyl 2-{3-nitrophenyl}-1,3-dioxoisoindoline-5-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for 1-Methylheptyl 2-{3-nitrophenyl}-1,3-dioxoisoindoline-5-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.