(E)-2-cyano-3-(1H-pyrrol-2-yl)prop-2-enoic acid
TL;DR: (E)-2-cyano-3-(1H-pyrrol-2-yl)prop-2-enoic acid (CAS 126058-57-9) is a chemical compound with molecular formula C8H6N2O2 and molecular weight 162.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-2-cyano-3-(1H-pyrrol-2-yl)prop-2-enoic acid
Also Known As: 2-cyano-3-(1H-pyrrol-2-yl)acrylic acid, (E)-2-cyano-3-(1H-pyrrol-2-yl)prop-2-enoic acid
| Molecular Formula | C8H6N2O2 |
|---|---|
| Molecular Weight | 162.04 g/mol |
| LogP | 1.00628 |
| Topological Polar Surface Area | 76.88 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 162.04292 |
| Heavy Atoms | 12 |
| Complexity | 343.6348 |
Chemical Identifiers
| CAS Number | 126058-57-9 |
|---|---|
| SMILES | C1=CNC(=C1)/C=C(\C#N)/C(=O)O |
Product Overview
(E)-2-cyano-3-(1H-pyrrol-2-yl)prop-2-enoic acid (CAS 126058-57-9), with molecular formula C8H6N2O2 and molecular weight 162.04 g/mol. IUPAC: (E)-2-cyano-3-(1H-pyrrol-2-yl)prop-2-enoic acid.
Chemical Property Profile of (E)-2-cyano-3-(1H-pyrrol-2-yl)prop-2-enoic acid
Property Insights of (E)-2-cyano-3-(1H-pyrrol-2-yl)prop-2-enoic acid
The XLogP value of 1.00628 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-2-cyano-3-(1H-pyrrol-2-yl)prop-2-enoic acid. The TPSA of 76.88 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-2-cyano-3-(1H-pyrrol-2-yl)prop-2-enoic acid. Following Lipinski's Rule of Five, (E)-2-cyano-3-(1H-pyrrol-2-yl)prop-2-enoic acid has 2 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 (E)-2-cyano-3-(1H-pyrrol-2-yl)prop-2-enoic acid?
The CAS number of (E)-2-cyano-3-(1H-pyrrol-2-yl)prop-2-enoic acid is 126058-57-9.
What is the molecular formula of (E)-2-cyano-3-(1H-pyrrol-2-yl)prop-2-enoic acid?
The molecular formula of (E)-2-cyano-3-(1H-pyrrol-2-yl)prop-2-enoic acid is C8H6N2O2.
What is the molecular weight of (E)-2-cyano-3-(1H-pyrrol-2-yl)prop-2-enoic acid?
The molecular weight of (E)-2-cyano-3-(1H-pyrrol-2-yl)prop-2-enoic acid is 162.04 g/mol.
Where can I buy (E)-2-cyano-3-(1H-pyrrol-2-yl)prop-2-enoic acid?
You can request a quote for (E)-2-cyano-3-(1H-pyrrol-2-yl)prop-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 (E)-2-cyano-3-(1H-pyrrol-2-yl)prop-2-enoic acid?
Yes, KEHONG BIO provides custom synthesis services for (E)-2-cyano-3-(1H-pyrrol-2-yl)prop-2-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.