2-Propenoic acid, 3-(1H-indol-3-yl)-, 2-propynyl ester, (E)-
TL;DR: 2-Propenoic acid, 3-(1H-indol-3-yl)-, 2-propynyl ester, (E)- (CAS 70882-54-1) is a chemical compound with molecular formula C14H11NO2 and molecular weight 225.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
prop-2-ynyl (E)-3-(1H-indol-3-yl)prop-2-enoate
Also Known As: Propargyl trans-beta-(3-indolyl)acrylate, (E)-3-(1H-Indol-3-yl)-2-propenoic acid 2-propynyl ester, 5-22-03-00250 (Beilstein Handbook Reference), 2-Propenoic acid, 3-(1H-indol-3-yl)-, 2-propynyl ester, (E)-, prop-2-ynyl (E)-3-(1H-indol-3-yl)prop-2-enoate
| Molecular Formula | C14H11NO2 |
|---|---|
| Molecular Weight | 225.08 g/mol |
| LogP | 2.3575 |
| Topological Polar Surface Area | 42.09 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 225.07898 |
| Heavy Atoms | 17 |
| Complexity | 601.9549 |
Chemical Identifiers
| CAS Number | 70882-54-1 |
|---|---|
| SMILES | C#CCOC(=O)/C=C/C1=CNC2=CC=CC=C21 |
Product Overview
2-Propenoic acid, 3-(1H-indol-3-yl)-, 2-propynyl ester, (E)- (CAS 70882-54-1), with molecular formula C14H11NO2 and molecular weight 225.08 g/mol. IUPAC: prop-2-ynyl (E)-3-(1H-indol-3-yl)prop-2-enoate.
Chemical Property Profile of 2-Propenoic acid, 3-(1H-indol-3-yl)-, 2-propynyl ester, (E)-
Property Insights of 2-Propenoic acid, 3-(1H-indol-3-yl)-, 2-propynyl ester, (E)-
The XLogP value of 2.3575 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Propenoic acid, 3-(1H-indol-3-yl)-, 2-propynyl ester, (E)-. With a topological polar surface area (TPSA) of 42.09 Ų, 2-Propenoic acid, 3-(1H-indol-3-yl)-, 2-propynyl ester, (E)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Propenoic acid, 3-(1H-indol-3-yl)-, 2-propynyl ester, (E)- has 1 hydrogen bond donor(s) and 2 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 2-Propenoic acid, 3-(1H-indol-3-yl)-, 2-propynyl ester, (E)-?
The CAS number of 2-Propenoic acid, 3-(1H-indol-3-yl)-, 2-propynyl ester, (E)- is 70882-54-1.
What is the molecular formula of 2-Propenoic acid, 3-(1H-indol-3-yl)-, 2-propynyl ester, (E)-?
The molecular formula of 2-Propenoic acid, 3-(1H-indol-3-yl)-, 2-propynyl ester, (E)- is C14H11NO2.
What is the molecular weight of 2-Propenoic acid, 3-(1H-indol-3-yl)-, 2-propynyl ester, (E)-?
The molecular weight of 2-Propenoic acid, 3-(1H-indol-3-yl)-, 2-propynyl ester, (E)- is 225.08 g/mol.
Where can I buy 2-Propenoic acid, 3-(1H-indol-3-yl)-, 2-propynyl ester, (E)-?
You can request a quote for 2-Propenoic acid, 3-(1H-indol-3-yl)-, 2-propynyl ester, (E)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Propenoic acid, 3-(1H-indol-3-yl)-, 2-propynyl ester, (E)-?
Yes, KEHONG BIO provides custom synthesis services for 2-Propenoic acid, 3-(1H-indol-3-yl)-, 2-propynyl ester, (E)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.