1-((3,4-Bis(benzoyloxy)phenyl)methyl)isoquinoline-6,7-diyl dibenzoate
TL;DR: 1-((3,4-Bis(benzoyloxy)phenyl)methyl)isoquinoline-6,7-diyl dibenzoate (CAS 5878-49-9) is a chemical compound with molecular formula C44H29NO8 and molecular weight 699.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-benzoyloxy-4-[(6,7-dibenzoyloxyisoquinolin-1-yl)methyl]phenyl] benzoate
Also Known As: EINECS 227-552-7, 6,7-bis(methoxycarbonyl)benzothiophene, 1-((3,4-Bis(benzoyloxy)phenyl)methyl)isoquinoline-6,7-diyl dibenzoate, 1-[[3,4-BIS(BENZOYLOXY)PHENYL]METHYL]ISOQUINOLINE-6,7-DIYL DIBENZOATE, [2-benzoyloxy-4-[(6,7-dibenzoyloxyisoquinolin-1-yl)methyl]phenyl] benzoate
| Molecular Formula | C44H29NO8 |
|---|---|
| Molecular Weight | 699.19 g/mol |
| LogP | 8.7024 |
| Topological Polar Surface Area | 118.09 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 10 |
| Exact Mass | 699.18933 |
| Heavy Atoms | 53 |
| Complexity | 2433.79 |
Chemical Identifiers
| CAS Number | 5878-49-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)CC3=NC=CC4=CC(=C(C=C43)OC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6)OC(=O)C7=CC=CC=C7 |
Product Overview
1-((3,4-Bis(benzoyloxy)phenyl)methyl)isoquinoline-6,7-diyl dibenzoate (CAS 5878-49-9), with molecular formula C44H29NO8 and molecular weight 699.19 g/mol. IUPAC: [2-benzoyloxy-4-[(6,7-dibenzoyloxyisoquinolin-1-yl)methyl]phenyl] benzoate.
Chemical Property Profile of 1-((3,4-Bis(benzoyloxy)phenyl)methyl)isoquinoline-6,7-diyl dibenzoate
Property Insights of 1-((3,4-Bis(benzoyloxy)phenyl)methyl)isoquinoline-6,7-diyl dibenzoate
The XLogP value of 8.7024 indicates that 1-((3,4-Bis(benzoyloxy)phenyl)methyl)isoquinoline-6,7-diyl dibenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 118.09 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-((3,4-Bis(benzoyloxy)phenyl)methyl)isoquinoline-6,7-diyl dibenzoate. Following Lipinski's Rule of Five, 1-((3,4-Bis(benzoyloxy)phenyl)methyl)isoquinoline-6,7-diyl dibenzoate has 0 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-((3,4-Bis(benzoyloxy)phenyl)methyl)isoquinoline-6,7-diyl dibenzoate?
The CAS number of 1-((3,4-Bis(benzoyloxy)phenyl)methyl)isoquinoline-6,7-diyl dibenzoate is 5878-49-9.
What is the molecular formula of 1-((3,4-Bis(benzoyloxy)phenyl)methyl)isoquinoline-6,7-diyl dibenzoate?
The molecular formula of 1-((3,4-Bis(benzoyloxy)phenyl)methyl)isoquinoline-6,7-diyl dibenzoate is C44H29NO8.
What is the molecular weight of 1-((3,4-Bis(benzoyloxy)phenyl)methyl)isoquinoline-6,7-diyl dibenzoate?
The molecular weight of 1-((3,4-Bis(benzoyloxy)phenyl)methyl)isoquinoline-6,7-diyl dibenzoate is 699.19 g/mol.
Where can I buy 1-((3,4-Bis(benzoyloxy)phenyl)methyl)isoquinoline-6,7-diyl dibenzoate?
You can request a quote for 1-((3,4-Bis(benzoyloxy)phenyl)methyl)isoquinoline-6,7-diyl dibenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-((3,4-Bis(benzoyloxy)phenyl)methyl)isoquinoline-6,7-diyl dibenzoate?
Yes, KEHONG BIO provides custom synthesis services for 1-((3,4-Bis(benzoyloxy)phenyl)methyl)isoquinoline-6,7-diyl dibenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.