3-(1H-pyrrol-3-yl)acrylic acid ethyl ester
TL;DR: 3-(1H-pyrrol-3-yl)acrylic acid ethyl ester (CAS 123530-69-8) is a chemical compound with molecular formula C9H11NO2 and molecular weight 165.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-(1H-pyrrol-3-yl)prop-2-enoate
Also Known As: 3-(1H-pyrrol-3-yl)acrylic acid ethyl ester, Ethyl 3-(1H-pyrrol-3-yl)-2-propenoate, ethyl 3-(1H-pyrrol-3-yl)prop-2-enoate
| Molecular Formula | C9H11NO2 |
|---|---|
| Molecular Weight | 165.08 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 42.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 165.07898 |
| Heavy Atoms | 12 |
| Complexity | 177.0 |
Chemical Identifiers
| CAS Number | 123530-69-8 |
|---|---|
| SMILES | CCOC(=O)C=CC1=CNC=C1 |
| InChIKey | FEUSMSPMLTYKRZ-UHFFFAOYSA-N |
Product Overview
3-(1H-pyrrol-3-yl)acrylic acid ethyl ester (CAS 123530-69-8), with molecular formula C9H11NO2 and molecular weight 165.08 g/mol. IUPAC: ethyl 3-(1H-pyrrol-3-yl)prop-2-enoate.
Chemical Property Profile of 3-(1H-pyrrol-3-yl)acrylic acid ethyl ester
Property Insights of 3-(1H-pyrrol-3-yl)acrylic acid ethyl ester
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(1H-pyrrol-3-yl)acrylic acid ethyl ester. With a topological polar surface area (TPSA) of 42.1 Ų, 3-(1H-pyrrol-3-yl)acrylic acid ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(1H-pyrrol-3-yl)acrylic acid ethyl ester 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 3-(1H-pyrrol-3-yl)acrylic acid ethyl ester?
The CAS number of 3-(1H-pyrrol-3-yl)acrylic acid ethyl ester is 123530-69-8.
What is the molecular formula of 3-(1H-pyrrol-3-yl)acrylic acid ethyl ester?
The molecular formula of 3-(1H-pyrrol-3-yl)acrylic acid ethyl ester is C9H11NO2.
What is the molecular weight of 3-(1H-pyrrol-3-yl)acrylic acid ethyl ester?
The molecular weight of 3-(1H-pyrrol-3-yl)acrylic acid ethyl ester is 165.08 g/mol.
Where can I buy 3-(1H-pyrrol-3-yl)acrylic acid ethyl ester?
You can request a quote for 3-(1H-pyrrol-3-yl)acrylic 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 3-(1H-pyrrol-3-yl)acrylic acid ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 3-(1H-pyrrol-3-yl)acrylic acid ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.