4-(2,3-dihydro-1H-indol-1-yl)-2-methyl-4-oxo-2-butenoic acid
TL;DR: 4-(2,3-dihydro-1H-indol-1-yl)-2-methyl-4-oxo-2-butenoic acid (CAS 1164463-11-9) is a chemical compound with molecular formula C13H13NO3 and molecular weight 231.08954 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(E)-4-(2,3-dihydroindol-1-yl)-2-methyl-4-oxobut-2-enoic acid
Also Known As: AB00073757-01, (E)-4-(indolin-1-yl)-2-methyl-4-oxobut-2-enoic acid, 4-(2,3-dihydro-1H-indol-1-yl)-2-methyl-4-oxo-2-butenoic acid, (E)-4-(2,3-dihydroindol-1-yl)-2-methyl-4-oxobut-2-enoic acid, (2E)-4-(2,3-dihydro-1H-indol-1-yl)-2-methyl-4-oxobut-2-enoic acid
Technical Specifications
| Molecular Formula | C13H13NO3 |
| Molecular Weight | 231.08954 g/mol |
| XLogP | 1.5 |
| Topological Polar Surface Area (TPSA) | 57.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 231.08954 Da |
| Heavy Atoms | 17 |
| Complexity | 362.0 |
| SMILES | C/C(=C\C(=O)N1CCC2=CC=CC=C21)/C(=O)O |
| InChIKey | VBVBSQJDYKXGNH-CMDGGOBGSA-N |
Chemical Property Profile of 4-(2,3-dihydro-1H-indol-1-yl)-2-methyl-4-oxo-2-butenoic acid
Property Insights of 4-(2,3-dihydro-1H-indol-1-yl)-2-methyl-4-oxo-2-butenoic acid
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(2,3-dihydro-1H-indol-1-yl)-2-methyl-4-oxo-2-butenoic acid. With a topological polar surface area (TPSA) of 57.6 Ų, 4-(2,3-dihydro-1H-indol-1-yl)-2-methyl-4-oxo-2-butenoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(2,3-dihydro-1H-indol-1-yl)-2-methyl-4-oxo-2-butenoic acid has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 4-(2,3-dihydro-1H-indol-1-yl)-2-methyl-4-oxo-2-butenoic acid?
The CAS number of 4-(2,3-dihydro-1H-indol-1-yl)-2-methyl-4-oxo-2-butenoic acid is 1164463-11-9.
What is the molecular formula of 4-(2,3-dihydro-1H-indol-1-yl)-2-methyl-4-oxo-2-butenoic acid?
The molecular formula of 4-(2,3-dihydro-1H-indol-1-yl)-2-methyl-4-oxo-2-butenoic acid is C13H13NO3.
What is the molecular weight of 4-(2,3-dihydro-1H-indol-1-yl)-2-methyl-4-oxo-2-butenoic acid?
The molecular weight of 4-(2,3-dihydro-1H-indol-1-yl)-2-methyl-4-oxo-2-butenoic acid is 231.08954 g/mol.
Where can I buy 4-(2,3-dihydro-1H-indol-1-yl)-2-methyl-4-oxo-2-butenoic acid?
You can request a quote for 4-(2,3-dihydro-1H-indol-1-yl)-2-methyl-4-oxo-2-butenoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-(2,3-dihydro-1H-indol-1-yl)-2-methyl-4-oxo-2-butenoic acid?
Yes, CoreyChem provides custom synthesis services for 4-(2,3-dihydro-1H-indol-1-yl)-2-methyl-4-oxo-2-butenoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.