1,4-Butanedione, 1-(4-bromophenyl)-4-phenyl-
TL;DR: 1,4-Butanedione, 1-(4-bromophenyl)-4-phenyl- (CAS 51908-41-9) is a chemical compound with molecular formula C16H13BrO2 and molecular weight 316.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-bromophenyl)-4-phenylbutane-1,4-dione
Also Known As: 1-(4-Bromophenyl)-4-phenyl-1,4-butanedione, 1-(4-bromophenyl)-4-phenylbutane-1,4-dione, 1,4-Butanedione, 1-(4-bromophenyl)-4-phenyl-, 1-(4-Bromophenyl)-4-phenyl-1,4-butanedione #, 1-PHENYL-4-(4-BROMOPHENYL)BUTANE-1,4-DIONE
| Molecular Formula | C16H13BrO2 |
|---|---|
| Molecular Weight | 316.01 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 316.0099 |
| Heavy Atoms | 19 |
| Complexity | 313.0 |
Chemical Identifiers
| CAS Number | 51908-41-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)CCC(=O)C2=CC=C(C=C2)Br |
| InChIKey | RYONDSHGSYUSFB-UHFFFAOYSA-N |
Product Overview
1,4-Butanedione, 1-(4-bromophenyl)-4-phenyl- (CAS 51908-41-9), with molecular formula C16H13BrO2 and molecular weight 316.01 g/mol. IUPAC: 1-(4-bromophenyl)-4-phenylbutane-1,4-dione.
Chemical Property Profile of 1,4-Butanedione, 1-(4-bromophenyl)-4-phenyl-
Property Insights of 1,4-Butanedione, 1-(4-bromophenyl)-4-phenyl-
The XLogP value of 3.5 indicates that 1,4-Butanedione, 1-(4-bromophenyl)-4-phenyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.1 Ų, 1,4-Butanedione, 1-(4-bromophenyl)-4-phenyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,4-Butanedione, 1-(4-bromophenyl)-4-phenyl- 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 1,4-Butanedione, 1-(4-bromophenyl)-4-phenyl-?
The CAS number of 1,4-Butanedione, 1-(4-bromophenyl)-4-phenyl- is 51908-41-9.
What is the molecular formula of 1,4-Butanedione, 1-(4-bromophenyl)-4-phenyl-?
The molecular formula of 1,4-Butanedione, 1-(4-bromophenyl)-4-phenyl- is C16H13BrO2.
What is the molecular weight of 1,4-Butanedione, 1-(4-bromophenyl)-4-phenyl-?
The molecular weight of 1,4-Butanedione, 1-(4-bromophenyl)-4-phenyl- is 316.01 g/mol.
Where can I buy 1,4-Butanedione, 1-(4-bromophenyl)-4-phenyl-?
You can request a quote for 1,4-Butanedione, 1-(4-bromophenyl)-4-phenyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4-Butanedione, 1-(4-bromophenyl)-4-phenyl-?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Butanedione, 1-(4-bromophenyl)-4-phenyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.