(2E)-2-cyano-3-(2,5-dimethyl-1-propyl-1H-pyrrol-3-yl)acrylic acid
TL;DR: (2E)-2-cyano-3-(2,5-dimethyl-1-propyl-1H-pyrrol-3-yl)acrylic acid (CAS 1164512-84-8) is a chemical compound with molecular formula C13H16N2O2 and molecular weight 232.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-2-cyano-3-(2,5-dimethyl-1-propylpyrrol-3-yl)prop-2-enoic acid
Also Known As: (2E)-2-cyano-3-(2,5-dimethyl-1-propyl-1H-pyrrol-3-yl)acrylic acid, 2-cyano-3-(2,5-dimethyl-1-propyl-1H-pyrrol-3-yl)prop-2-enoic acid, (E)-2-Cyano-3-(2,5-dimethyl-1-propyl-1H-pyrrol-3-yl)acrylic acid, (E)-2-cyano-3-(2,5-dimethyl-1-propylpyrrol-3-yl)prop-2-enoic acid, 2-Cyano-3-(2,5-dimethyl-1-propyl-1H-pyrrol-3-yl)acrylic acid
| Molecular Formula | C13H16N2O2 |
|---|---|
| Molecular Weight | 232.12 g/mol |
| LogP | 2.50652 |
| Topological Polar Surface Area | 66.02 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 232.12119 |
| Heavy Atoms | 17 |
| Complexity | 504.22452 |
Chemical Identifiers
| CAS Number | 1164512-84-8 |
|---|---|
| SMILES | CCCN1C(=CC(=C1C)/C=C(\C#N)/C(=O)O)C |
Product Overview
(2E)-2-cyano-3-(2,5-dimethyl-1-propyl-1H-pyrrol-3-yl)acrylic acid (CAS 1164512-84-8), with molecular formula C13H16N2O2 and molecular weight 232.12 g/mol. IUPAC: (E)-2-cyano-3-(2,5-dimethyl-1-propylpyrrol-3-yl)prop-2-enoic acid.
Chemical Property Profile of (2E)-2-cyano-3-(2,5-dimethyl-1-propyl-1H-pyrrol-3-yl)acrylic acid
Property Insights of (2E)-2-cyano-3-(2,5-dimethyl-1-propyl-1H-pyrrol-3-yl)acrylic acid
The XLogP value of 2.50652 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2E)-2-cyano-3-(2,5-dimethyl-1-propyl-1H-pyrrol-3-yl)acrylic acid. The TPSA of 66.02 Ų falls within the moderate polarity range, balancing permeability and solubility for (2E)-2-cyano-3-(2,5-dimethyl-1-propyl-1H-pyrrol-3-yl)acrylic acid. Following Lipinski's Rule of Five, (2E)-2-cyano-3-(2,5-dimethyl-1-propyl-1H-pyrrol-3-yl)acrylic acid 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 (2E)-2-cyano-3-(2,5-dimethyl-1-propyl-1H-pyrrol-3-yl)acrylic acid?
The CAS number of (2E)-2-cyano-3-(2,5-dimethyl-1-propyl-1H-pyrrol-3-yl)acrylic acid is 1164512-84-8.
What is the molecular formula of (2E)-2-cyano-3-(2,5-dimethyl-1-propyl-1H-pyrrol-3-yl)acrylic acid?
The molecular formula of (2E)-2-cyano-3-(2,5-dimethyl-1-propyl-1H-pyrrol-3-yl)acrylic acid is C13H16N2O2.
What is the molecular weight of (2E)-2-cyano-3-(2,5-dimethyl-1-propyl-1H-pyrrol-3-yl)acrylic acid?
The molecular weight of (2E)-2-cyano-3-(2,5-dimethyl-1-propyl-1H-pyrrol-3-yl)acrylic acid is 232.12 g/mol.
Where can I buy (2E)-2-cyano-3-(2,5-dimethyl-1-propyl-1H-pyrrol-3-yl)acrylic acid?
You can request a quote for (2E)-2-cyano-3-(2,5-dimethyl-1-propyl-1H-pyrrol-3-yl)acrylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2E)-2-cyano-3-(2,5-dimethyl-1-propyl-1H-pyrrol-3-yl)acrylic acid?
Yes, KEHONG BIO provides custom synthesis services for (2E)-2-cyano-3-(2,5-dimethyl-1-propyl-1H-pyrrol-3-yl)acrylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.