9-(6-Bromo-7-oxocyclohepta-1,3,5-trien-1-yl)-10-(4,5,6-tribromocyclohex-2-en-1-yl)-9,10-dihydroanthracene-9,10-dicarbonitrile
TL;DR: 9-(6-Bromo-7-oxocyclohepta-1,3,5-trien-1-yl)-10-(4,5,6-tribromocyclohex-2-en-1-yl)-9,10-dihydroanthracene-9,10-dicarbonitrile (CAS 7234-58-4) is a chemical compound with molecular formula C29H18Br4N2O and molecular weight 725.82 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-(6-bromo-7-oxocyclohepta-1,3,5-trien-1-yl)-10-(4,5,6-tribromocyclohex-2-en-1-yl)anthracene-9,10-dicarbonitrile
Also Known As: 9-(6-Bromo-7-oxocyclohepta-1,3,5-trien-1-yl)-10-(4,5,6-tribromocyclohex-2-en-1-yl)-9,10-dihydroanthracene-9,10-dicarbonitrile, 9-(6-bromo-7-oxocyclohepta-1,3,5-trien-1-yl)-10-(4,5,6-tribromocyclohex-2-en-1-yl)anthracene-9,10-dicarbonitrile
| Molecular Formula | C29H18Br4N2O |
|---|---|
| Molecular Weight | 725.82 g/mol |
| LogP | 7.26686 |
| Topological Polar Surface Area | 64.65 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 725.81525 |
| Heavy Atoms | 36 |
| Complexity | 1489.7217 |
Chemical Identifiers
| CAS Number | 7234-58-4 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(C3=CC=CC=C3C2(C#N)C4=CC=CC=C(C4=O)Br)(C#N)C5C=CC(C(C5Br)Br)Br |
Product Overview
9-(6-Bromo-7-oxocyclohepta-1,3,5-trien-1-yl)-10-(4,5,6-tribromocyclohex-2-en-1-yl)-9,10-dihydroanthracene-9,10-dicarbonitrile (CAS 7234-58-4), with molecular formula C29H18Br4N2O and molecular weight 725.82 g/mol. IUPAC: 9-(6-bromo-7-oxocyclohepta-1,3,5-trien-1-yl)-10-(4,5,6-tribromocyclohex-2-en-1-yl)anthracene-9,10-dicarbonitrile.
Chemical Property Profile of 9-(6-Bromo-7-oxocyclohepta-1,3,5-trien-1-yl)-10-(4,5,6-tribromocyclohex-2-en-1-yl)-9,10-dihydroanthracene-9,10-dicarbonitrile
Property Insights of 9-(6-Bromo-7-oxocyclohepta-1,3,5-trien-1-yl)-10-(4,5,6-tribromocyclohex-2-en-1-yl)-9,10-dihydroanthracene-9,10-dicarbonitrile
The XLogP value of 7.26686 indicates that 9-(6-Bromo-7-oxocyclohepta-1,3,5-trien-1-yl)-10-(4,5,6-tribromocyclohex-2-en-1-yl)-9,10-dihydroanthracene-9,10-dicarbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.65 Ų falls within the moderate polarity range, balancing permeability and solubility for 9-(6-Bromo-7-oxocyclohepta-1,3,5-trien-1-yl)-10-(4,5,6-tribromocyclohex-2-en-1-yl)-9,10-dihydroanthracene-9,10-dicarbonitrile. Following Lipinski's Rule of Five, 9-(6-Bromo-7-oxocyclohepta-1,3,5-trien-1-yl)-10-(4,5,6-tribromocyclohex-2-en-1-yl)-9,10-dihydroanthracene-9,10-dicarbonitrile has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 9-(6-Bromo-7-oxocyclohepta-1,3,5-trien-1-yl)-10-(4,5,6-tribromocyclohex-2-en-1-yl)-9,10-dihydroanthracene-9,10-dicarbonitrile?
The CAS number of 9-(6-Bromo-7-oxocyclohepta-1,3,5-trien-1-yl)-10-(4,5,6-tribromocyclohex-2-en-1-yl)-9,10-dihydroanthracene-9,10-dicarbonitrile is 7234-58-4.
What is the molecular formula of 9-(6-Bromo-7-oxocyclohepta-1,3,5-trien-1-yl)-10-(4,5,6-tribromocyclohex-2-en-1-yl)-9,10-dihydroanthracene-9,10-dicarbonitrile?
The molecular formula of 9-(6-Bromo-7-oxocyclohepta-1,3,5-trien-1-yl)-10-(4,5,6-tribromocyclohex-2-en-1-yl)-9,10-dihydroanthracene-9,10-dicarbonitrile is C29H18Br4N2O.
What is the molecular weight of 9-(6-Bromo-7-oxocyclohepta-1,3,5-trien-1-yl)-10-(4,5,6-tribromocyclohex-2-en-1-yl)-9,10-dihydroanthracene-9,10-dicarbonitrile?
The molecular weight of 9-(6-Bromo-7-oxocyclohepta-1,3,5-trien-1-yl)-10-(4,5,6-tribromocyclohex-2-en-1-yl)-9,10-dihydroanthracene-9,10-dicarbonitrile is 725.82 g/mol.
Where can I buy 9-(6-Bromo-7-oxocyclohepta-1,3,5-trien-1-yl)-10-(4,5,6-tribromocyclohex-2-en-1-yl)-9,10-dihydroanthracene-9,10-dicarbonitrile?
You can request a quote for 9-(6-Bromo-7-oxocyclohepta-1,3,5-trien-1-yl)-10-(4,5,6-tribromocyclohex-2-en-1-yl)-9,10-dihydroanthracene-9,10-dicarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9-(6-Bromo-7-oxocyclohepta-1,3,5-trien-1-yl)-10-(4,5,6-tribromocyclohex-2-en-1-yl)-9,10-dihydroanthracene-9,10-dicarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 9-(6-Bromo-7-oxocyclohepta-1,3,5-trien-1-yl)-10-(4,5,6-tribromocyclohex-2-en-1-yl)-9,10-dihydroanthracene-9,10-dicarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.