1,3-Butanedione, 2-chloro-1-(2-phenyl-1H-indol-3-yl)-
TL;DR: 1,3-Butanedione, 2-chloro-1-(2-phenyl-1H-indol-3-yl)- (CAS 62367-86-6) is a chemical compound with molecular formula C18H14ClNO2 and molecular weight 311.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-1-(2-phenyl-1H-indol-3-yl)butane-1,3-dione
Also Known As: Tosyl-1-phenyl-2-acetyl-3-indol, 2-Chloro-1-(2-phenyl-1H-indol-3-yl)-1,3-butanedione, Phenyl-2 (chloro-2' acetoacetyl)-3 indole, 2-chloro-1-(2-phenyl-1h-indol-3-yl)butane-1,3-dione, Phenyl-2 (chloro-2' acetoacetyl)-3 indole [French]
| Molecular Formula | C18H14ClNO2 |
|---|---|
| Molecular Weight | 311.07 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 49.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 311.07132 |
| Heavy Atoms | 22 |
| Complexity | 433.0 |
Chemical Identifiers
| CAS Number | 62367-86-6 |
|---|---|
| SMILES | CC(=O)C(C(=O)C1=C(NC2=CC=CC=C21)C3=CC=CC=C3)Cl |
| InChIKey | APKVCPQMEGCARP-UHFFFAOYSA-N |
Product Overview
1,3-Butanedione, 2-chloro-1-(2-phenyl-1H-indol-3-yl)- (CAS 62367-86-6), with molecular formula C18H14ClNO2 and molecular weight 311.07 g/mol. IUPAC: 2-chloro-1-(2-phenyl-1H-indol-3-yl)butane-1,3-dione.
Chemical Property Profile of 1,3-Butanedione, 2-chloro-1-(2-phenyl-1H-indol-3-yl)-
Property Insights of 1,3-Butanedione, 2-chloro-1-(2-phenyl-1H-indol-3-yl)-
The XLogP value of 4.0 indicates that 1,3-Butanedione, 2-chloro-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 49.9 Ų, 1,3-Butanedione, 2-chloro-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-chloro-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-chloro-1-(2-phenyl-1H-indol-3-yl)-?
The CAS number of 1,3-Butanedione, 2-chloro-1-(2-phenyl-1H-indol-3-yl)- is 62367-86-6.
What is the molecular formula of 1,3-Butanedione, 2-chloro-1-(2-phenyl-1H-indol-3-yl)-?
The molecular formula of 1,3-Butanedione, 2-chloro-1-(2-phenyl-1H-indol-3-yl)- is C18H14ClNO2.
What is the molecular weight of 1,3-Butanedione, 2-chloro-1-(2-phenyl-1H-indol-3-yl)-?
The molecular weight of 1,3-Butanedione, 2-chloro-1-(2-phenyl-1H-indol-3-yl)- is 311.07 g/mol.
Where can I buy 1,3-Butanedione, 2-chloro-1-(2-phenyl-1H-indol-3-yl)-?
You can request a quote for 1,3-Butanedione, 2-chloro-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-chloro-1-(2-phenyl-1H-indol-3-yl)-?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Butanedione, 2-chloro-1-(2-phenyl-1H-indol-3-yl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.