(2E)-2-cyano-3-(1-cyclopropyl-2,5-dimethyl-1H-pyrrol-3-yl)acrylic acid
TL;DR: (2E)-2-cyano-3-(1-cyclopropyl-2,5-dimethyl-1H-pyrrol-3-yl)acrylic acid (CAS 1164471-51-5) is a chemical compound with molecular formula C13H14N2O2 and molecular weight 230.10553 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-cyano-3-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)prop-2-enoic acid
Also Known As: (2E)-2-cyano-3-(1-cyclopropyl-2,5-dimethyl-1H-pyrrol-3-yl)acrylic acid, 2-cyano-3-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)prop-2-enoic acid, 2-cyano-3-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)prop-2-enoic Acid, 2-Cyano-3-(1-cyclopropyl-2,5-dimethyl-1H-pyrrol-3-yl)acrylic acid, (E)-2-Cyano-3-(1-cyclopropyl-2,5-dimethyl-1H-pyrrol-3-yl)acrylic acid
Technical Specifications
| Molecular Formula | C13H14N2O2 |
| Molecular Weight | 230.10553 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 66.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 230.10553 Da |
| Heavy Atoms | 17 |
| Complexity | 403.0 |
| SMILES | CC1=CC(=C(N1C2CC2)C)C=C(C#N)C(=O)O |
| InChIKey | MTDDKQZLYRCIHS-UHFFFAOYSA-N |
Chemical Property Profile of (2E)-2-cyano-3-(1-cyclopropyl-2,5-dimethyl-1H-pyrrol-3-yl)acrylic acid
Property Insights of (2E)-2-cyano-3-(1-cyclopropyl-2,5-dimethyl-1H-pyrrol-3-yl)acrylic acid
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2E)-2-cyano-3-(1-cyclopropyl-2,5-dimethyl-1H-pyrrol-3-yl)acrylic acid. The TPSA of 66.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (2E)-2-cyano-3-(1-cyclopropyl-2,5-dimethyl-1H-pyrrol-3-yl)acrylic acid. Following Lipinski's Rule of Five, (2E)-2-cyano-3-(1-cyclopropyl-2,5-dimethyl-1H-pyrrol-3-yl)acrylic acid has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of (2E)-2-cyano-3-(1-cyclopropyl-2,5-dimethyl-1H-pyrrol-3-yl)acrylic acid?
The CAS number of (2E)-2-cyano-3-(1-cyclopropyl-2,5-dimethyl-1H-pyrrol-3-yl)acrylic acid is 1164471-51-5.
What is the molecular formula of (2E)-2-cyano-3-(1-cyclopropyl-2,5-dimethyl-1H-pyrrol-3-yl)acrylic acid?
The molecular formula of (2E)-2-cyano-3-(1-cyclopropyl-2,5-dimethyl-1H-pyrrol-3-yl)acrylic acid is C13H14N2O2.
What is the molecular weight of (2E)-2-cyano-3-(1-cyclopropyl-2,5-dimethyl-1H-pyrrol-3-yl)acrylic acid?
The molecular weight of (2E)-2-cyano-3-(1-cyclopropyl-2,5-dimethyl-1H-pyrrol-3-yl)acrylic acid is 230.10553 g/mol.
Where can I buy (2E)-2-cyano-3-(1-cyclopropyl-2,5-dimethyl-1H-pyrrol-3-yl)acrylic acid?
You can request a quote for (2E)-2-cyano-3-(1-cyclopropyl-2,5-dimethyl-1H-pyrrol-3-yl)acrylic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (2E)-2-cyano-3-(1-cyclopropyl-2,5-dimethyl-1H-pyrrol-3-yl)acrylic acid?
Yes, CoreyChem provides custom synthesis services for (2E)-2-cyano-3-(1-cyclopropyl-2,5-dimethyl-1H-pyrrol-3-yl)acrylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.