4-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)phenyl 4-bromobenzenesulfonate
TL;DR: 4-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)phenyl 4-bromobenzenesulfonate (CAS 474377-23-6) is a chemical compound with molecular formula C21H16BrNO5S and molecular weight 472.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)phenyl] 4-bromobenzenesulfonate
Also Known As: 4-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)phenyl 4-bromobenzenesulfonate, 4-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl)phenyl 4-bromobenzenesulfonate, 4-(1,3-dioxo-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindol-2(3H)-yl)phenyl 4-bromobenzenesulfonate, 4-{3,5-DIOXO-4-AZATRICYCLO[5.2.1.0(2),?]DEC-8-EN-4-YL}PHENYL 4-BROMOBENZENESULFONATE
| Molecular Formula | C21H16BrNO5S |
|---|---|
| Molecular Weight | 472.99 g/mol |
| LogP | 3.5283 |
| Topological Polar Surface Area | 80.75 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 472.99326 |
| Heavy Atoms | 29 |
| Complexity | 1110.5989 |
Chemical Identifiers
| CAS Number | 474377-23-6 |
|---|---|
| SMILES | C1C2C=CC1C3C2C(=O)N(C3=O)C4=CC=C(C=C4)OS(=O)(=O)C5=CC=C(C=C5)Br |
Product Overview
4-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)phenyl 4-bromobenzenesulfonate (CAS 474377-23-6), with molecular formula C21H16BrNO5S and molecular weight 472.99 g/mol. IUPAC: [4-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)phenyl] 4-bromobenzenesulfonate.
Chemical Property Profile of 4-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)phenyl 4-bromobenzenesulfonate
Property Insights of 4-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)phenyl 4-bromobenzenesulfonate
The XLogP value of 3.5283 indicates that 4-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)phenyl 4-bromobenzenesulfonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.75 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)phenyl 4-bromobenzenesulfonate. Following Lipinski's Rule of Five, 4-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)phenyl 4-bromobenzenesulfonate has 0 hydrogen bond donor(s) and 5 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-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)phenyl 4-bromobenzenesulfonate?
The CAS number of 4-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)phenyl 4-bromobenzenesulfonate is 474377-23-6.
What is the molecular formula of 4-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)phenyl 4-bromobenzenesulfonate?
The molecular formula of 4-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)phenyl 4-bromobenzenesulfonate is C21H16BrNO5S.
What is the molecular weight of 4-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)phenyl 4-bromobenzenesulfonate?
The molecular weight of 4-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)phenyl 4-bromobenzenesulfonate is 472.99 g/mol.
Where can I buy 4-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)phenyl 4-bromobenzenesulfonate?
You can request a quote for 4-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)phenyl 4-bromobenzenesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)phenyl 4-bromobenzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for 4-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)phenyl 4-bromobenzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.