1,4-Dibenzoyl-1,4-dibromobutane
TL;DR: 1,4-Dibenzoyl-1,4-dibromobutane (CAS 71225-00-8) is a chemical compound with molecular formula C18H16Br2O2 and molecular weight 421.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,5-dibromo-1,6-diphenylhexane-1,6-dione
Also Known As: 1,4-DIBENZOYL-1,4-DIBROMOBUTANE, 2,5-dibromo-1,6-diphenylhexane-1,6-dione, 2,5-dibromo-1,6-diphenyl-1,6-hexanedione, 1,6-Hexanedione,2,5-dibromo-1,6-diphenyl-, 2,5-dibromo-1,6-diphenyl-hexane-1,6-dione
| Molecular Formula | C18H16Br2O2 |
|---|---|
| Molecular Weight | 421.95 g/mol |
| LogP | 5.0594 |
| Topological Polar Surface Area | 34.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 421.9517 |
| Heavy Atoms | 22 |
| Complexity | 568.5501 |
Chemical Identifiers
| CAS Number | 71225-00-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)C(CCC(C(=O)C2=CC=CC=C2)Br)Br |
Product Overview
1,4-Dibenzoyl-1,4-dibromobutane (CAS 71225-00-8), with molecular formula C18H16Br2O2 and molecular weight 421.95 g/mol. IUPAC: 2,5-dibromo-1,6-diphenylhexane-1,6-dione.
Chemical Property Profile of 1,4-Dibenzoyl-1,4-dibromobutane
Property Insights of 1,4-Dibenzoyl-1,4-dibromobutane
The XLogP value of 5.0594 indicates that 1,4-Dibenzoyl-1,4-dibromobutane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.14 Ų, 1,4-Dibenzoyl-1,4-dibromobutane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,4-Dibenzoyl-1,4-dibromobutane has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,4-Dibenzoyl-1,4-dibromobutane?
The CAS number of 1,4-Dibenzoyl-1,4-dibromobutane is 71225-00-8.
What is the molecular formula of 1,4-Dibenzoyl-1,4-dibromobutane?
The molecular formula of 1,4-Dibenzoyl-1,4-dibromobutane is C18H16Br2O2.
What is the molecular weight of 1,4-Dibenzoyl-1,4-dibromobutane?
The molecular weight of 1,4-Dibenzoyl-1,4-dibromobutane is 421.95 g/mol.
Where can I buy 1,4-Dibenzoyl-1,4-dibromobutane?
You can request a quote for 1,4-Dibenzoyl-1,4-dibromobutane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4-Dibenzoyl-1,4-dibromobutane?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Dibenzoyl-1,4-dibromobutane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.