naphthalen-2-yl 4-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)benzoate
TL;DR: naphthalen-2-yl 4-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)benzoate (CAS 474302-54-0) is a chemical compound with molecular formula C26H21NO4 and molecular weight 411.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
naphthalen-2-yl 4-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)benzoate
Also Known As: naphthalen-2-yl 4-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)benzoate, 2-Naphthalenyl 4-(octahydro-1,3-dioxo-4,7-methano-2H-isoindol-2-yl)benzoate, 2-naphthyl 4-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-4-yl)benzoate, naphthalen-2-yl 4-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)benzoate
| Molecular Formula | C26H21NO4 |
|---|---|
| Molecular Weight | 411.15 g/mol |
| LogP | 4.5945 |
| Topological Polar Surface Area | 63.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 411.14706 |
| Heavy Atoms | 31 |
| Complexity | 1203.6454 |
Chemical Identifiers
| CAS Number | 474302-54-0 |
|---|---|
| SMILES | C1CC2CC1C3C2C(=O)N(C3=O)C4=CC=C(C=C4)C(=O)OC5=CC6=CC=CC=C6C=C5 |
Product Overview
naphthalen-2-yl 4-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)benzoate (CAS 474302-54-0), with molecular formula C26H21NO4 and molecular weight 411.15 g/mol. IUPAC: naphthalen-2-yl 4-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)benzoate.
Chemical Property Profile of naphthalen-2-yl 4-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)benzoate
Property Insights of naphthalen-2-yl 4-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)benzoate
The XLogP value of 4.5945 indicates that naphthalen-2-yl 4-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.68 Ų falls within the moderate polarity range, balancing permeability and solubility for naphthalen-2-yl 4-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)benzoate. Following Lipinski's Rule of Five, naphthalen-2-yl 4-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)benzoate has 0 hydrogen bond donor(s) and 4 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 naphthalen-2-yl 4-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)benzoate?
The CAS number of naphthalen-2-yl 4-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)benzoate is 474302-54-0.
What is the molecular formula of naphthalen-2-yl 4-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)benzoate?
The molecular formula of naphthalen-2-yl 4-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)benzoate is C26H21NO4.
What is the molecular weight of naphthalen-2-yl 4-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)benzoate?
The molecular weight of naphthalen-2-yl 4-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)benzoate is 411.15 g/mol.
Where can I buy naphthalen-2-yl 4-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)benzoate?
You can request a quote for naphthalen-2-yl 4-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-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 naphthalen-2-yl 4-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for naphthalen-2-yl 4-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.