3-Buten-2-one, 4-(1H-indol-3-yl)-, (E)-
TL;DR: 3-Buten-2-one, 4-(1H-indol-3-yl)-, (E)- (CAS 31951-75-4) is a chemical compound with molecular formula C12H11NO and molecular weight 185.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(1H-indol-3-yl)but-3-en-2-one
Also Known As: 4-(1H-indol-3-yl)but-3-en-2-one, 4-(1H-Indol-3-yl)-but-3-en-2-one, 3-Buten-2-one, 4-(1H-indol-3-yl)-, (E)-, BAS 00654946, (E)-4-(1H-indol-3-yl)but-3-en-2-one
| Molecular Formula | C12H11NO |
|---|---|
| Molecular Weight | 185.08 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 32.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 185.08406 |
| Heavy Atoms | 14 |
| Complexity | 247.0 |
Chemical Identifiers
| CAS Number | 31951-75-4 |
|---|---|
| SMILES | CC(=O)C=CC1=CNC2=CC=CC=C21 |
| InChIKey | YJRJWAUDTYJBNF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Buten-2-one, 4-(1H-indol-3-yl)-, (E)- (CAS 31951-75-4), with molecular formula C12H11NO and molecular weight 185.08 g/mol. IUPAC: 4-(1H-indol-3-yl)but-3-en-2-one.
Chemical Property Profile of 3-Buten-2-one, 4-(1H-indol-3-yl)-, (E)-
Property Insights of 3-Buten-2-one, 4-(1H-indol-3-yl)-, (E)-
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Buten-2-one, 4-(1H-indol-3-yl)-, (E)-. With a topological polar surface area (TPSA) of 32.9 Ų, 3-Buten-2-one, 4-(1H-indol-3-yl)-, (E)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Buten-2-one, 4-(1H-indol-3-yl)-, (E)- has 1 hydrogen bond donor(s) and 1 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 3-Buten-2-one, 4-(1H-indol-3-yl)-, (E)-?
The CAS number of 3-Buten-2-one, 4-(1H-indol-3-yl)-, (E)- is 31951-75-4.
What is the molecular formula of 3-Buten-2-one, 4-(1H-indol-3-yl)-, (E)-?
The molecular formula of 3-Buten-2-one, 4-(1H-indol-3-yl)-, (E)- is C12H11NO.
What is the molecular weight of 3-Buten-2-one, 4-(1H-indol-3-yl)-, (E)-?
The molecular weight of 3-Buten-2-one, 4-(1H-indol-3-yl)-, (E)- is 185.08 g/mol.
Where can I buy 3-Buten-2-one, 4-(1H-indol-3-yl)-, (E)-?
You can request a quote for 3-Buten-2-one, 4-(1H-indol-3-yl)-, (E)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Buten-2-one, 4-(1H-indol-3-yl)-, (E)-?
Yes, KEHONG BIO provides custom synthesis services for 3-Buten-2-one, 4-(1H-indol-3-yl)-, (E)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.