Benzene-1,4-diylbis(carbonylbenzene-4,1-diyl) bis(3-bromobenzoate)
TL;DR: Benzene-1,4-diylbis(carbonylbenzene-4,1-diyl) bis(3-bromobenzoate) (CAS 69953-17-9) is a chemical compound with molecular formula C34H20Br2O6 and molecular weight 681.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[4-[4-(3-bromobenzoyl)oxybenzoyl]benzoyl]phenyl] 3-bromobenzoate
Also Known As: benzene-1,1-diyl) di-3-bromobenzoate, benzene-1,4-diylbis(carbonylbenzene-4,1-diyl) bis(3-bromobenzoate), [4-[4-[4-(3-bromobenzoyl)oxybenzoyl]benzoyl]phenyl] 3-bromobenzoate, [4-[4-[4-(3-bromobenzoyl)oxybenzoyl]benzoyl]phenyl] 3-bromob, [(1,4-Phenylene)bis(carbonyl)-4,1-phenylene] bis(3-bromobenzoate)
| Molecular Formula | C34H20Br2O6 |
|---|---|
| Molecular Weight | 681.96 g/mol |
| LogP | 8.8 |
| Topological Polar Surface Area | 86.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 681.96265 |
| Heavy Atoms | 42 |
| Complexity | 870.0 |
Chemical Identifiers
| CAS Number | 69953-17-9 |
|---|---|
| SMILES | C1=CC(=CC(=C1)Br)C(=O)OC2=CC=C(C=C2)C(=O)C3=CC=C(C=C3)C(=O)C4=CC=C(C=C4)OC(=O)C5=CC(=CC=C5)Br |
| InChIKey | PBBWYIJSGHNDBZ-UHFFFAOYSA-N |
Product Overview
Benzene-1,4-diylbis(carbonylbenzene-4,1-diyl) bis(3-bromobenzoate) (CAS 69953-17-9), with molecular formula C34H20Br2O6 and molecular weight 681.96 g/mol. IUPAC: [4-[4-[4-(3-bromobenzoyl)oxybenzoyl]benzoyl]phenyl] 3-bromobenzoate.
Chemical Property Profile of Benzene-1,4-diylbis(carbonylbenzene-4,1-diyl) bis(3-bromobenzoate)
Property Insights of Benzene-1,4-diylbis(carbonylbenzene-4,1-diyl) bis(3-bromobenzoate)
The XLogP value of 8.8 indicates that Benzene-1,4-diylbis(carbonylbenzene-4,1-diyl) bis(3-bromobenzoate) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzene-1,4-diylbis(carbonylbenzene-4,1-diyl) bis(3-bromobenzoate). Following Lipinski's Rule of Five, Benzene-1,4-diylbis(carbonylbenzene-4,1-diyl) bis(3-bromobenzoate) has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Benzene-1,4-diylbis(carbonylbenzene-4,1-diyl) bis(3-bromobenzoate)?
The CAS number of Benzene-1,4-diylbis(carbonylbenzene-4,1-diyl) bis(3-bromobenzoate) is 69953-17-9.
What is the molecular formula of Benzene-1,4-diylbis(carbonylbenzene-4,1-diyl) bis(3-bromobenzoate)?
The molecular formula of Benzene-1,4-diylbis(carbonylbenzene-4,1-diyl) bis(3-bromobenzoate) is C34H20Br2O6.
What is the molecular weight of Benzene-1,4-diylbis(carbonylbenzene-4,1-diyl) bis(3-bromobenzoate)?
The molecular weight of Benzene-1,4-diylbis(carbonylbenzene-4,1-diyl) bis(3-bromobenzoate) is 681.96 g/mol.
Where can I buy Benzene-1,4-diylbis(carbonylbenzene-4,1-diyl) bis(3-bromobenzoate)?
You can request a quote for Benzene-1,4-diylbis(carbonylbenzene-4,1-diyl) bis(3-bromobenzoate) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzene-1,4-diylbis(carbonylbenzene-4,1-diyl) bis(3-bromobenzoate)?
Yes, KEHONG BIO provides custom synthesis services for Benzene-1,4-diylbis(carbonylbenzene-4,1-diyl) bis(3-bromobenzoate) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.