butyl 4-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)benzoate
TL;DR: butyl 4-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)benzoate (CAS 474377-05-4) is a chemical compound with molecular formula C20H23NO4 and molecular weight 341.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl 4-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)benzoate
Also Known As: butyl 4-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)benzoate, butyl 4-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)benzoate, butyl 4-(1,3-dioxohexahydro-1H-4,7-methanoisoindol-2(3H)-yl)benzoate, butyl 4-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-4-yl)benzoate, BUTYL 4-{3,5-DIOXO-4-AZATRICYCLO[5.2.1.0(2),?]DECAN-4-YL}BENZOATE
| Molecular Formula | C20H23NO4 |
|---|---|
| Molecular Weight | 341.16 g/mol |
| LogP | 3.179 |
| Topological Polar Surface Area | 63.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 341.16272 |
| Heavy Atoms | 25 |
| Complexity | 682.91125 |
Chemical Identifiers
| CAS Number | 474377-05-4 |
|---|---|
| SMILES | CCCCOC(=O)C1=CC=C(C=C1)N2C(=O)C3C4CCC(C4)C3C2=O |
Product Overview
butyl 4-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)benzoate (CAS 474377-05-4), with molecular formula C20H23NO4 and molecular weight 341.16 g/mol. IUPAC: butyl 4-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)benzoate.
Chemical Property Profile of butyl 4-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)benzoate
Property Insights of butyl 4-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)benzoate
The XLogP value of 3.179 indicates that butyl 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 butyl 4-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)benzoate. Following Lipinski's Rule of Five, butyl 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 butyl 4-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)benzoate?
The CAS number of butyl 4-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)benzoate is 474377-05-4.
What is the molecular formula of butyl 4-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)benzoate?
The molecular formula of butyl 4-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)benzoate is C20H23NO4.
What is the molecular weight of butyl 4-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)benzoate?
The molecular weight of butyl 4-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)benzoate is 341.16 g/mol.
Where can I buy butyl 4-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)benzoate?
You can request a quote for butyl 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 butyl 4-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for butyl 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.