2-Buten-1-one, 3-amino-1-(2-phenyl-1H-indol-3-yl)-
TL;DR: 2-Buten-1-one, 3-amino-1-(2-phenyl-1H-indol-3-yl)- (CAS 62367-93-5) is a chemical compound with molecular formula C18H16N2O and molecular weight 276.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(Z)-3-amino-1-(2-phenyl-1H-indol-3-yl)but-2-en-1-one
Also Known As: Phenyl-2 (amino-3' crotonyl)-3 indole, 3-Amino-1-(2-phenyl-1H-indol-3-yl)-2-buten-1-one, Phenyl-2 (amino-3' crotonyl)-3 indole [French], 2-Buten-1-one, 3-amino-1-(2-phenyl-1H-indol-3-yl)-, 5-22-13-00180 (Beilstein Handbook Reference)
| Molecular Formula | C18H16N2O |
|---|---|
| Molecular Weight | 276.13 g/mol |
| LogP | 3.8801 |
| Topological Polar Surface Area | 58.88 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 276.12625 |
| Heavy Atoms | 21 |
| Complexity | 824.8054 |
Chemical Identifiers
| CAS Number | 62367-93-5 |
|---|---|
| SMILES | C/C(=C/C(=O)C1=C(NC2=CC=CC=C21)C3=CC=CC=C3)/N |
Product Overview
2-Buten-1-one, 3-amino-1-(2-phenyl-1H-indol-3-yl)- (CAS 62367-93-5), with molecular formula C18H16N2O and molecular weight 276.13 g/mol. IUPAC: (Z)-3-amino-1-(2-phenyl-1H-indol-3-yl)but-2-en-1-one.
Chemical Property Profile of 2-Buten-1-one, 3-amino-1-(2-phenyl-1H-indol-3-yl)-
Property Insights of 2-Buten-1-one, 3-amino-1-(2-phenyl-1H-indol-3-yl)-
The XLogP value of 3.8801 indicates that 2-Buten-1-one, 3-amino-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 58.88 Ų, 2-Buten-1-one, 3-amino-1-(2-phenyl-1H-indol-3-yl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Buten-1-one, 3-amino-1-(2-phenyl-1H-indol-3-yl)- has 2 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 2-Buten-1-one, 3-amino-1-(2-phenyl-1H-indol-3-yl)-?
The CAS number of 2-Buten-1-one, 3-amino-1-(2-phenyl-1H-indol-3-yl)- is 62367-93-5.
What is the molecular formula of 2-Buten-1-one, 3-amino-1-(2-phenyl-1H-indol-3-yl)-?
The molecular formula of 2-Buten-1-one, 3-amino-1-(2-phenyl-1H-indol-3-yl)- is C18H16N2O.
What is the molecular weight of 2-Buten-1-one, 3-amino-1-(2-phenyl-1H-indol-3-yl)-?
The molecular weight of 2-Buten-1-one, 3-amino-1-(2-phenyl-1H-indol-3-yl)- is 276.13 g/mol.
Where can I buy 2-Buten-1-one, 3-amino-1-(2-phenyl-1H-indol-3-yl)-?
You can request a quote for 2-Buten-1-one, 3-amino-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 2-Buten-1-one, 3-amino-1-(2-phenyl-1H-indol-3-yl)-?
Yes, KEHONG BIO provides custom synthesis services for 2-Buten-1-one, 3-amino-1-(2-phenyl-1H-indol-3-yl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.