![4-[2-(1H-indol-3-yl)ethylamino]-4-oxobut-2-enoic acid structure](/static/products/986/98603-88-4.png)
4-[2-(1H-indol-3-yl)ethylamino]-4-oxobut-2-enoic acid
TL;DR: 4-[2-(1H-indol-3-yl)ethylamino]-4-oxobut-2-enoic acid (CAS 98603-88-4) is a chemical compound with molecular formula C14H14N2O3 and molecular weight 258.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[2-(1H-indol-3-yl)ethylamino]-4-oxobut-2-enoic acid
Also Known As: 4-[2-(1H-indol-3-yl)ethylamino]-4-oxobut-2-enoic acid, 4-{[2-(1H-indol-3-yl)ethyl]amino}-4-oxobut-2-enoic acid, 2-Butenoic acid, 4-[[2-(1H-indol-3-yl)ethyl]amino]-4-oxo-, (2Z)-
| Molecular Formula | C14H14N2O3 |
|---|---|
| Molecular Weight | 258.10 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 82.2 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 258.10043 |
| Heavy Atoms | 19 |
| Complexity | 368.0 |
Chemical Identifiers
| CAS Number | 98603-88-4 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=CN2)CCNC(=O)C=CC(=O)O |
| InChIKey | UWZRNXJMKGVBSR-UHFFFAOYSA-N |
Product Overview
4-[2-(1H-indol-3-yl)ethylamino]-4-oxobut-2-enoic acid (CAS 98603-88-4), with molecular formula C14H14N2O3 and molecular weight 258.10 g/mol. IUPAC: 4-[2-(1H-indol-3-yl)ethylamino]-4-oxobut-2-enoic acid.
Chemical Property Profile of 4-[2-(1H-indol-3-yl)ethylamino]-4-oxobut-2-enoic acid
Property Insights of 4-[2-(1H-indol-3-yl)ethylamino]-4-oxobut-2-enoic acid
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[2-(1H-indol-3-yl)ethylamino]-4-oxobut-2-enoic acid. The TPSA of 82.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[2-(1H-indol-3-yl)ethylamino]-4-oxobut-2-enoic acid. Following Lipinski's Rule of Five, 4-[2-(1H-indol-3-yl)ethylamino]-4-oxobut-2-enoic acid has 3 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-(1H-indol-3-yl)ethylamino]-4-oxobut-2-enoic acid?
The CAS number of 4-[2-(1H-indol-3-yl)ethylamino]-4-oxobut-2-enoic acid is 98603-88-4.
What is the molecular formula of 4-[2-(1H-indol-3-yl)ethylamino]-4-oxobut-2-enoic acid?
The molecular formula of 4-[2-(1H-indol-3-yl)ethylamino]-4-oxobut-2-enoic acid is C14H14N2O3.
What is the molecular weight of 4-[2-(1H-indol-3-yl)ethylamino]-4-oxobut-2-enoic acid?
The molecular weight of 4-[2-(1H-indol-3-yl)ethylamino]-4-oxobut-2-enoic acid is 258.10 g/mol.
Where can I buy 4-[2-(1H-indol-3-yl)ethylamino]-4-oxobut-2-enoic acid?
You can request a quote for 4-[2-(1H-indol-3-yl)ethylamino]-4-oxobut-2-enoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[2-(1H-indol-3-yl)ethylamino]-4-oxobut-2-enoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-[2-(1H-indol-3-yl)ethylamino]-4-oxobut-2-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.