4-(5,6-dibromo-1,3-dioxooctahydro-2H-isoindol-2-yl)phenyl decanoate
TL;DR: 4-(5,6-dibromo-1,3-dioxooctahydro-2H-isoindol-2-yl)phenyl decanoate (CAS 498530-08-8) is a chemical compound with molecular formula C24H31Br2NO4 and molecular weight 555.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(5,6-dibromo-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)phenyl] decanoate
Also Known As: BAS 00818160, 4-(5,6-dibromo-1,3-dioxooctahydro-2H-isoindol-2-yl)phenyl decanoate, 4-(5,6-DIBROMO-1,3-DIOXO-HEXAHYDROISOINDOL-2-YL)PHENYL DECANOATE, [4-(5,6-dibromo-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)phenyl] decanoate, 4-(5,6-dibromo-1,3-dioxo-4,5,6,7,3a,7a-hexahydroisoindol-2-yl)phenyl decanoate
| Molecular Formula | C24H31Br2NO4 |
|---|---|
| Molecular Weight | 555.06 g/mol |
| LogP | 6.1591 |
| Topological Polar Surface Area | 63.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 555.06195 |
| Heavy Atoms | 31 |
| Complexity | 754.2889 |
Chemical Identifiers
| CAS Number | 498530-08-8 |
|---|---|
| SMILES | CCCCCCCCCC(=O)OC1=CC=C(C=C1)N2C(=O)C3CC(C(CC3C2=O)Br)Br |
Product Overview
4-(5,6-dibromo-1,3-dioxooctahydro-2H-isoindol-2-yl)phenyl decanoate (CAS 498530-08-8), with molecular formula C24H31Br2NO4 and molecular weight 555.06 g/mol. IUPAC: [4-(5,6-dibromo-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)phenyl] decanoate.
Chemical Property Profile of 4-(5,6-dibromo-1,3-dioxooctahydro-2H-isoindol-2-yl)phenyl decanoate
Property Insights of 4-(5,6-dibromo-1,3-dioxooctahydro-2H-isoindol-2-yl)phenyl decanoate
The XLogP value of 6.1591 indicates that 4-(5,6-dibromo-1,3-dioxooctahydro-2H-isoindol-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 4-(5,6-dibromo-1,3-dioxooctahydro-2H-isoindol-2-yl)phenyl decanoate. Following Lipinski's Rule of Five, 4-(5,6-dibromo-1,3-dioxooctahydro-2H-isoindol-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 4-(5,6-dibromo-1,3-dioxooctahydro-2H-isoindol-2-yl)phenyl decanoate?
The CAS number of 4-(5,6-dibromo-1,3-dioxooctahydro-2H-isoindol-2-yl)phenyl decanoate is 498530-08-8.
What is the molecular formula of 4-(5,6-dibromo-1,3-dioxooctahydro-2H-isoindol-2-yl)phenyl decanoate?
The molecular formula of 4-(5,6-dibromo-1,3-dioxooctahydro-2H-isoindol-2-yl)phenyl decanoate is C24H31Br2NO4.
What is the molecular weight of 4-(5,6-dibromo-1,3-dioxooctahydro-2H-isoindol-2-yl)phenyl decanoate?
The molecular weight of 4-(5,6-dibromo-1,3-dioxooctahydro-2H-isoindol-2-yl)phenyl decanoate is 555.06 g/mol.
Where can I buy 4-(5,6-dibromo-1,3-dioxooctahydro-2H-isoindol-2-yl)phenyl decanoate?
You can request a quote for 4-(5,6-dibromo-1,3-dioxooctahydro-2H-isoindol-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 4-(5,6-dibromo-1,3-dioxooctahydro-2H-isoindol-2-yl)phenyl decanoate?
Yes, KEHONG BIO provides custom synthesis services for 4-(5,6-dibromo-1,3-dioxooctahydro-2H-isoindol-2-yl)phenyl decanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.