4-(1,2-Dimethylindol-3-yl)but-3-en-2-one
TL;DR: 4-(1,2-Dimethylindol-3-yl)but-3-en-2-one (CAS 61936-75-2) is a chemical compound with molecular formula C14H15NO and molecular weight 213.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(1,2-dimethylindol-3-yl)but-3-en-2-one
Also Known As: 4-(1,2-dimethylindol-3-yl)but-3-en-2-one, (E)-4-(1,2-dimethyl-1H-indol-3-yl)but-3-en-2-one, 4-(1,2-dimethyl-1h-indol-3-yl)but-3-en-2-one
| Molecular Formula | C14H15NO |
|---|---|
| Molecular Weight | 213.12 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 22.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 213.11537 |
| Heavy Atoms | 16 |
| Complexity | 297.0 |
Chemical Identifiers
| CAS Number | 61936-75-2 |
|---|---|
| SMILES | CC1=C(C2=CC=CC=C2N1C)C=CC(=O)C |
| InChIKey | ZMBXDKHEFVSQBO-UHFFFAOYSA-N |
Product Overview
4-(1,2-Dimethylindol-3-yl)but-3-en-2-one (CAS 61936-75-2), with molecular formula C14H15NO and molecular weight 213.12 g/mol. IUPAC: 4-(1,2-dimethylindol-3-yl)but-3-en-2-one.
Chemical Property Profile of 4-(1,2-Dimethylindol-3-yl)but-3-en-2-one
Property Insights of 4-(1,2-Dimethylindol-3-yl)but-3-en-2-one
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(1,2-Dimethylindol-3-yl)but-3-en-2-one. With a topological polar surface area (TPSA) of 22.0 Ų, 4-(1,2-Dimethylindol-3-yl)but-3-en-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(1,2-Dimethylindol-3-yl)but-3-en-2-one has 0 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 4-(1,2-Dimethylindol-3-yl)but-3-en-2-one?
The CAS number of 4-(1,2-Dimethylindol-3-yl)but-3-en-2-one is 61936-75-2.
What is the molecular formula of 4-(1,2-Dimethylindol-3-yl)but-3-en-2-one?
The molecular formula of 4-(1,2-Dimethylindol-3-yl)but-3-en-2-one is C14H15NO.
What is the molecular weight of 4-(1,2-Dimethylindol-3-yl)but-3-en-2-one?
The molecular weight of 4-(1,2-Dimethylindol-3-yl)but-3-en-2-one is 213.12 g/mol.
Where can I buy 4-(1,2-Dimethylindol-3-yl)but-3-en-2-one?
You can request a quote for 4-(1,2-Dimethylindol-3-yl)but-3-en-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(1,2-Dimethylindol-3-yl)but-3-en-2-one?
Yes, KEHONG BIO provides custom synthesis services for 4-(1,2-Dimethylindol-3-yl)but-3-en-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.