3-(5,6-dibromo-1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)phenyl decanoate
TL;DR: 3-(5,6-dibromo-1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)phenyl decanoate (CAS 498530-02-2) is a chemical compound with molecular formula C25H31Br2NO4 and molecular weight 567.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-(8,9-dibromo-3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)phenyl] decanoate
Also Known As: BAS 00818088, 3-(5,6-dibromo-1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)phenyl decanoate, 3-(8,9-dibromo-3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-4-yl)phenyl decanoate, [3-(8,9-dibromo-3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)phenyl] decanoate, 3-(8,9-dibromo-3,5-dioxo-4-azatricyclo[5.2.1.0<2,6>]dec-4-yl)phenyl decanoate
| Molecular Formula | C25H31Br2NO4 |
|---|---|
| Molecular Weight | 567.06 g/mol |
| LogP | 6.015 |
| Topological Polar Surface Area | 63.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 567.06195 |
| Heavy Atoms | 32 |
| Complexity | 843.2528 |
Chemical Identifiers
| CAS Number | 498530-02-2 |
|---|---|
| SMILES | CCCCCCCCCC(=O)OC1=CC=CC(=C1)N2C(=O)C3C4CC(C3C2=O)C(C4Br)Br |
Product Overview
3-(5,6-dibromo-1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)phenyl decanoate (CAS 498530-02-2), with molecular formula C25H31Br2NO4 and molecular weight 567.06 g/mol. IUPAC: [3-(8,9-dibromo-3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)phenyl] decanoate.
Chemical Property Profile of 3-(5,6-dibromo-1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)phenyl decanoate
Property Insights of 3-(5,6-dibromo-1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)phenyl decanoate
The XLogP value of 6.015 indicates that 3-(5,6-dibromo-1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)phenyl decanoate 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 3-(5,6-dibromo-1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)phenyl decanoate. Following Lipinski's Rule of Five, 3-(5,6-dibromo-1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)phenyl decanoate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-(5,6-dibromo-1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)phenyl decanoate?
The CAS number of 3-(5,6-dibromo-1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)phenyl decanoate is 498530-02-2.
What is the molecular formula of 3-(5,6-dibromo-1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)phenyl decanoate?
The molecular formula of 3-(5,6-dibromo-1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)phenyl decanoate is C25H31Br2NO4.
What is the molecular weight of 3-(5,6-dibromo-1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)phenyl decanoate?
The molecular weight of 3-(5,6-dibromo-1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)phenyl decanoate is 567.06 g/mol.
Where can I buy 3-(5,6-dibromo-1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)phenyl decanoate?
You can request a quote for 3-(5,6-dibromo-1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)phenyl decanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(5,6-dibromo-1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)phenyl decanoate?
Yes, KEHONG BIO provides custom synthesis services for 3-(5,6-dibromo-1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)phenyl decanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.