4-bromophenyl 4-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)benzoate
TL;DR: 4-bromophenyl 4-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)benzoate (CAS 474257-86-8) is a chemical compound with molecular formula C22H18BrNO4 and molecular weight 439.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-bromophenyl) 4-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)benzoate
Also Known As: 4-bromophenyl 4-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)benzoate, 4-bromophenyl 4-(1,3-dioxohexahydro-1H-4,7-methanoisoindol-2(3H)-yl)benzoate, 4-bromophenyl 4-(3,5-dioxo-4-azatricyclo[5.2.1.0<2,6>]dec-4-yl)benzoate, 4-BROMOPHENYL 4-{3,5-DIOXO-4-AZATRICYCLO[5.2.1.0(2),?]DECAN-4-YL}BENZOATE
| Molecular Formula | C22H18BrNO4 |
|---|---|
| Molecular Weight | 439.04 g/mol |
| LogP | 4.2038 |
| Topological Polar Surface Area | 63.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 439.04193 |
| Heavy Atoms | 28 |
| Complexity | 941.0362 |
Chemical Identifiers
| CAS Number | 474257-86-8 |
|---|---|
| SMILES | C1CC2CC1C3C2C(=O)N(C3=O)C4=CC=C(C=C4)C(=O)OC5=CC=C(C=C5)Br |
Product Overview
4-bromophenyl 4-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)benzoate (CAS 474257-86-8), with molecular formula C22H18BrNO4 and molecular weight 439.04 g/mol. IUPAC: (4-bromophenyl) 4-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)benzoate.
Chemical Property Profile of 4-bromophenyl 4-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)benzoate
Property Insights of 4-bromophenyl 4-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)benzoate
The XLogP value of 4.2038 indicates that 4-bromophenyl 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 4-bromophenyl 4-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)benzoate. Following Lipinski's Rule of Five, 4-bromophenyl 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 4-bromophenyl 4-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)benzoate?
The CAS number of 4-bromophenyl 4-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)benzoate is 474257-86-8.
What is the molecular formula of 4-bromophenyl 4-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)benzoate?
The molecular formula of 4-bromophenyl 4-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)benzoate is C22H18BrNO4.
What is the molecular weight of 4-bromophenyl 4-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)benzoate?
The molecular weight of 4-bromophenyl 4-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)benzoate is 439.04 g/mol.
Where can I buy 4-bromophenyl 4-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)benzoate?
You can request a quote for 4-bromophenyl 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 4-bromophenyl 4-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for 4-bromophenyl 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.