1,3-Butanedione, 2-bromo-1-(2-phenyl-1H-indol-3-yl)-
TL;DR: 1,3-Butanedione, 2-bromo-1-(2-phenyl-1H-indol-3-yl)- (CAS 62367-87-7) is a chemical compound with molecular formula C18H14BrNO2 and molecular weight 355.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-bromo-1-(2-phenyl-1H-indol-3-yl)butane-1,3-dione
Also Known As: 2-Bromo-1-(2-phenyl-1H-indol-3-yl)-1,3-butanedione, Phenyl-2 (bromo-2' acetoacetyl)-3 indole, 2-bromo-1-(2-phenyl-1H-indol-3-yl)butane-1,3-dione, 1,3-Butanedione, 2-bromo-1-(2-phenyl-1H-indol-3-yl)-, 1H-Indole, 3-(2-bromo-1,3-dioxobutyl)-2-phenyl-
| Molecular Formula | C18H14BrNO2 |
|---|---|
| Molecular Weight | 355.02 g/mol |
| LogP | 4.3701 |
| Topological Polar Surface Area | 49.93 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 355.02078 |
| Heavy Atoms | 22 |
| Complexity | 851.9095 |
Chemical Identifiers
| CAS Number | 62367-87-7 |
|---|---|
| SMILES | CC(=O)C(C(=O)C1=C(NC2=CC=CC=C21)C3=CC=CC=C3)Br |
Product Overview
1,3-Butanedione, 2-bromo-1-(2-phenyl-1H-indol-3-yl)- (CAS 62367-87-7), with molecular formula C18H14BrNO2 and molecular weight 355.02 g/mol. IUPAC: 2-bromo-1-(2-phenyl-1H-indol-3-yl)butane-1,3-dione.
Chemical Property Profile of 1,3-Butanedione, 2-bromo-1-(2-phenyl-1H-indol-3-yl)-
Property Insights of 1,3-Butanedione, 2-bromo-1-(2-phenyl-1H-indol-3-yl)-
The XLogP value of 4.3701 indicates that 1,3-Butanedione, 2-bromo-1-(2-phenyl-1H-indol-3-yl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.93 Ų, 1,3-Butanedione, 2-bromo-1-(2-phenyl-1H-indol-3-yl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Butanedione, 2-bromo-1-(2-phenyl-1H-indol-3-yl)- has 1 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-Butanedione, 2-bromo-1-(2-phenyl-1H-indol-3-yl)-?
The CAS number of 1,3-Butanedione, 2-bromo-1-(2-phenyl-1H-indol-3-yl)- is 62367-87-7.
What is the molecular formula of 1,3-Butanedione, 2-bromo-1-(2-phenyl-1H-indol-3-yl)-?
The molecular formula of 1,3-Butanedione, 2-bromo-1-(2-phenyl-1H-indol-3-yl)- is C18H14BrNO2.
What is the molecular weight of 1,3-Butanedione, 2-bromo-1-(2-phenyl-1H-indol-3-yl)-?
The molecular weight of 1,3-Butanedione, 2-bromo-1-(2-phenyl-1H-indol-3-yl)- is 355.02 g/mol.
Where can I buy 1,3-Butanedione, 2-bromo-1-(2-phenyl-1H-indol-3-yl)-?
You can request a quote for 1,3-Butanedione, 2-bromo-1-(2-phenyl-1H-indol-3-yl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Butanedione, 2-bromo-1-(2-phenyl-1H-indol-3-yl)-?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Butanedione, 2-bromo-1-(2-phenyl-1H-indol-3-yl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.