4-(2,3-Dihydro-indol-1-yl)-4-oxo-but-2-enoic acid ethyl ester
TL;DR: 4-(2,3-Dihydro-indol-1-yl)-4-oxo-but-2-enoic acid ethyl ester (CAS 1027101-53-6) is a chemical compound with molecular formula C14H15NO3 and molecular weight 245.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (E)-4-(2,3-dihydroindol-1-yl)-4-oxobut-2-enoate
Also Known As: BAS 00877546, ethyl (2E)-4-indolinyl-4-oxobut-2-enoate, (E)-ethyl 4-(indolin-1-yl)-4-oxobut-2-enoate, 4-(2,3-Dihydro-indol-1-yl)-4-oxo-but-2-enoic acid ethyl ester, ethyl (2E)-4-(2,3-dihydro-1H-indol-1-yl)-4-oxobut-2-enoate
| Molecular Formula | C14H15NO3 |
|---|---|
| Molecular Weight | 245.11 g/mol |
| LogP | 1.695 |
| Topological Polar Surface Area | 46.61 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 245.1052 |
| Heavy Atoms | 18 |
| Complexity | 493.5674 |
Chemical Identifiers
| CAS Number | 1027101-53-6 |
|---|---|
| SMILES | CCOC(=O)/C=C/C(=O)N1CCC2=CC=CC=C21 |
Product Overview
4-(2,3-Dihydro-indol-1-yl)-4-oxo-but-2-enoic acid ethyl ester (CAS 1027101-53-6), with molecular formula C14H15NO3 and molecular weight 245.11 g/mol. IUPAC: ethyl (E)-4-(2,3-dihydroindol-1-yl)-4-oxobut-2-enoate.
Chemical Property Profile of 4-(2,3-Dihydro-indol-1-yl)-4-oxo-but-2-enoic acid ethyl ester
Property Insights of 4-(2,3-Dihydro-indol-1-yl)-4-oxo-but-2-enoic acid ethyl ester
The XLogP value of 1.695 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(2,3-Dihydro-indol-1-yl)-4-oxo-but-2-enoic acid ethyl ester. With a topological polar surface area (TPSA) of 46.61 Ų, 4-(2,3-Dihydro-indol-1-yl)-4-oxo-but-2-enoic acid ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(2,3-Dihydro-indol-1-yl)-4-oxo-but-2-enoic acid ethyl ester has 0 hydrogen bond donor(s) and 3 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-(2,3-Dihydro-indol-1-yl)-4-oxo-but-2-enoic acid ethyl ester?
The CAS number of 4-(2,3-Dihydro-indol-1-yl)-4-oxo-but-2-enoic acid ethyl ester is 1027101-53-6.
What is the molecular formula of 4-(2,3-Dihydro-indol-1-yl)-4-oxo-but-2-enoic acid ethyl ester?
The molecular formula of 4-(2,3-Dihydro-indol-1-yl)-4-oxo-but-2-enoic acid ethyl ester is C14H15NO3.
What is the molecular weight of 4-(2,3-Dihydro-indol-1-yl)-4-oxo-but-2-enoic acid ethyl ester?
The molecular weight of 4-(2,3-Dihydro-indol-1-yl)-4-oxo-but-2-enoic acid ethyl ester is 245.11 g/mol.
Where can I buy 4-(2,3-Dihydro-indol-1-yl)-4-oxo-but-2-enoic acid ethyl ester?
You can request a quote for 4-(2,3-Dihydro-indol-1-yl)-4-oxo-but-2-enoic acid ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(2,3-Dihydro-indol-1-yl)-4-oxo-but-2-enoic acid ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 4-(2,3-Dihydro-indol-1-yl)-4-oxo-but-2-enoic acid ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.