1,3-Butanedione, 1-(1-methyl-2-phenyl-1H-indol-3-yl)-
TL;DR: 1,3-Butanedione, 1-(1-methyl-2-phenyl-1H-indol-3-yl)- (CAS 62367-69-5) is a chemical compound with molecular formula C19H17NO2 and molecular weight 291.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1-methyl-2-phenylindol-3-yl)butane-1,3-dione
Also Known As: 1,3-Butanedione, 1-(1-methyl-2-phenyl-1H-indol-3-yl)-, 1H-Indole, 3-(1,3-dioxobutyl)-1-methyl-2-phenyl-, 1-(1-Methyl-2-phenyl-1H-indol-3-yl)-1,3-butanedione, 1-(1-methyl-2-phenylindol-3-yl)butane-1,3-dione, 1-(1-Methyl-2-phenyl-1H-indol-3-yl)butane-1,3-dione
| Molecular Formula | C19H17NO2 |
|---|---|
| Molecular Weight | 291.13 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 39.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 291.12592 |
| Heavy Atoms | 22 |
| Complexity | 427.0 |
Chemical Identifiers
| CAS Number | 62367-69-5 |
|---|---|
| SMILES | CC(=O)CC(=O)C1=C(N(C2=CC=CC=C21)C)C3=CC=CC=C3 |
| InChIKey | ZFXOHBAWEFYMBX-UHFFFAOYSA-N |
Product Overview
1,3-Butanedione, 1-(1-methyl-2-phenyl-1H-indol-3-yl)- (CAS 62367-69-5), with molecular formula C19H17NO2 and molecular weight 291.13 g/mol. IUPAC: 1-(1-methyl-2-phenylindol-3-yl)butane-1,3-dione.
Chemical Property Profile of 1,3-Butanedione, 1-(1-methyl-2-phenyl-1H-indol-3-yl)-
Property Insights of 1,3-Butanedione, 1-(1-methyl-2-phenyl-1H-indol-3-yl)-
The XLogP value of 3.1 indicates that 1,3-Butanedione, 1-(1-methyl-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 39.1 Ų, 1,3-Butanedione, 1-(1-methyl-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, 1-(1-methyl-2-phenyl-1H-indol-3-yl)- 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-Butanedione, 1-(1-methyl-2-phenyl-1H-indol-3-yl)-?
The CAS number of 1,3-Butanedione, 1-(1-methyl-2-phenyl-1H-indol-3-yl)- is 62367-69-5.
What is the molecular formula of 1,3-Butanedione, 1-(1-methyl-2-phenyl-1H-indol-3-yl)-?
The molecular formula of 1,3-Butanedione, 1-(1-methyl-2-phenyl-1H-indol-3-yl)- is C19H17NO2.
What is the molecular weight of 1,3-Butanedione, 1-(1-methyl-2-phenyl-1H-indol-3-yl)-?
The molecular weight of 1,3-Butanedione, 1-(1-methyl-2-phenyl-1H-indol-3-yl)- is 291.13 g/mol.
Where can I buy 1,3-Butanedione, 1-(1-methyl-2-phenyl-1H-indol-3-yl)-?
You can request a quote for 1,3-Butanedione, 1-(1-methyl-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, 1-(1-methyl-2-phenyl-1H-indol-3-yl)-?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Butanedione, 1-(1-methyl-2-phenyl-1H-indol-3-yl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.