3,3',5,5'-Tetrabromo-1,1'-bi(cyclohexa-2,5-dien-1-ylidene)-4,4'-dione
TL;DR: 3,3',5,5'-Tetrabromo-1,1'-bi(cyclohexa-2,5-dien-1-ylidene)-4,4'-dione (CAS 7399-67-9) is a chemical compound with molecular formula C12H4Br4O2 and molecular weight 495.69 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,6-dibromo-4-(3,5-dibromo-4-oxocyclohexa-2,5-dien-1-ylidene)cyclohexa-2,5-dien-1-one
Also Known As: 3,3',5,5'-tetrabromo-1,1'-bi(cyclohexa-2,5-dien-1-ylidene)-4,4'-dione, 2,6-dibromo-4-(3,5-dibromo-4-oxocyclohexa-2,5-dien-1-ylidene, 2,6-dibromo-4-(3,5-dibromo-4-oxocyclohexa-2,5-dien-1-ylidene)cyclohexa-2,5-dien-1-one, 2,5-Cyclohexadien-1-one,2,6-dibromo-4-(3,5-dibromo-4-oxo-2,5-cyclohexadien-1-ylidene)-, 3,3',5,5'-Tetrabromo[1,1'-bi(cyclohexa-2,5-dien-1-ylidene)]-4,4'-dione
| Molecular Formula | C12H4Br4O2 |
|---|---|
| Molecular Weight | 495.69 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 495.6945 |
| Heavy Atoms | 18 |
| Complexity | 516.0 |
Chemical Identifiers
| CAS Number | 7399-67-9 |
|---|---|
| SMILES | C1=C(C(=O)C(=CC1=C2C=C(C(=O)C(=C2)Br)Br)Br)Br |
| InChIKey | MPRSKYSFMYIXCU-UHFFFAOYSA-N |
Product Overview
3,3',5,5'-Tetrabromo-1,1'-bi(cyclohexa-2,5-dien-1-ylidene)-4,4'-dione (CAS 7399-67-9), with molecular formula C12H4Br4O2 and molecular weight 495.69 g/mol. IUPAC: 2,6-dibromo-4-(3,5-dibromo-4-oxocyclohexa-2,5-dien-1-ylidene)cyclohexa-2,5-dien-1-one.
Chemical Property Profile of 3,3',5,5'-Tetrabromo-1,1'-bi(cyclohexa-2,5-dien-1-ylidene)-4,4'-dione
Property Insights of 3,3',5,5'-Tetrabromo-1,1'-bi(cyclohexa-2,5-dien-1-ylidene)-4,4'-dione
The XLogP value of 4.8 indicates that 3,3',5,5'-Tetrabromo-1,1'-bi(cyclohexa-2,5-dien-1-ylidene)-4,4'-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.1 Ų, 3,3',5,5'-Tetrabromo-1,1'-bi(cyclohexa-2,5-dien-1-ylidene)-4,4'-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,3',5,5'-Tetrabromo-1,1'-bi(cyclohexa-2,5-dien-1-ylidene)-4,4'-dione has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3,3',5,5'-Tetrabromo-1,1'-bi(cyclohexa-2,5-dien-1-ylidene)-4,4'-dione?
The CAS number of 3,3',5,5'-Tetrabromo-1,1'-bi(cyclohexa-2,5-dien-1-ylidene)-4,4'-dione is 7399-67-9.
What is the molecular formula of 3,3',5,5'-Tetrabromo-1,1'-bi(cyclohexa-2,5-dien-1-ylidene)-4,4'-dione?
The molecular formula of 3,3',5,5'-Tetrabromo-1,1'-bi(cyclohexa-2,5-dien-1-ylidene)-4,4'-dione is C12H4Br4O2.
What is the molecular weight of 3,3',5,5'-Tetrabromo-1,1'-bi(cyclohexa-2,5-dien-1-ylidene)-4,4'-dione?
The molecular weight of 3,3',5,5'-Tetrabromo-1,1'-bi(cyclohexa-2,5-dien-1-ylidene)-4,4'-dione is 495.69 g/mol.
Where can I buy 3,3',5,5'-Tetrabromo-1,1'-bi(cyclohexa-2,5-dien-1-ylidene)-4,4'-dione?
You can request a quote for 3,3',5,5'-Tetrabromo-1,1'-bi(cyclohexa-2,5-dien-1-ylidene)-4,4'-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,3',5,5'-Tetrabromo-1,1'-bi(cyclohexa-2,5-dien-1-ylidene)-4,4'-dione?
Yes, KEHONG BIO provides custom synthesis services for 3,3',5,5'-Tetrabromo-1,1'-bi(cyclohexa-2,5-dien-1-ylidene)-4,4'-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.