1,3-Propanedione, 1,3-bis(4-bromophenyl)-
TL;DR: 1,3-Propanedione, 1,3-bis(4-bromophenyl)- (CAS 33170-68-2) is a chemical compound with molecular formula C15H10Br2O2 and molecular weight 379.90 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-bis(4-bromophenyl)propane-1,3-dione
Also Known As: 1,3-bis(4-bromophenyl)propane-1,3-dione, 1,3-Propanedione, 1,3-bis(4-bromophenyl)-, 1,3-Bis(4-bromophenyl)-1,3-propanedione, 1,3-Di-(4-bromophenyl)-1,3-propanedione, 1,3-Bis[p-bromophenyl]-1,3-propanedione
| Molecular Formula | C15H10Br2O2 |
|---|---|
| Molecular Weight | 379.90 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 379.90475 |
| Heavy Atoms | 19 |
| Complexity | 295.0 |
Chemical Identifiers
| CAS Number | 33170-68-2 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)CC(=O)C2=CC=C(C=C2)Br)Br |
| InChIKey | HOVMFCOUXZBNBX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3-Propanedione, 1,3-bis(4-bromophenyl)- (CAS 33170-68-2), with molecular formula C15H10Br2O2 and molecular weight 379.90 g/mol. IUPAC: 1,3-bis(4-bromophenyl)propane-1,3-dione.
Chemical Property Profile of 1,3-Propanedione, 1,3-bis(4-bromophenyl)-
Property Insights of 1,3-Propanedione, 1,3-bis(4-bromophenyl)-
The XLogP value of 4.5 indicates that 1,3-Propanedione, 1,3-bis(4-bromophenyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.1 Ų, 1,3-Propanedione, 1,3-bis(4-bromophenyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Propanedione, 1,3-bis(4-bromophenyl)- 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 1,3-Propanedione, 1,3-bis(4-bromophenyl)-?
The CAS number of 1,3-Propanedione, 1,3-bis(4-bromophenyl)- is 33170-68-2.
What is the molecular formula of 1,3-Propanedione, 1,3-bis(4-bromophenyl)-?
The molecular formula of 1,3-Propanedione, 1,3-bis(4-bromophenyl)- is C15H10Br2O2.
What is the molecular weight of 1,3-Propanedione, 1,3-bis(4-bromophenyl)-?
The molecular weight of 1,3-Propanedione, 1,3-bis(4-bromophenyl)- is 379.90 g/mol.
Where can I buy 1,3-Propanedione, 1,3-bis(4-bromophenyl)-?
You can request a quote for 1,3-Propanedione, 1,3-bis(4-bromophenyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Propanedione, 1,3-bis(4-bromophenyl)-?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Propanedione, 1,3-bis(4-bromophenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.