![(2E)-2-cyano-3-[2,5-dimethyl-1-(3-methylbutyl)-1H-pyrrol-3-yl]acrylic acid structure](/static/products/7310/731002-11-2.webp)
(2E)-2-cyano-3-[2,5-dimethyl-1-(3-methylbutyl)-1H-pyrrol-3-yl]acrylic acid
TL;DR: (2E)-2-cyano-3-[2,5-dimethyl-1-(3-methylbutyl)-1H-pyrrol-3-yl]acrylic acid (CAS 731002-11-2) is a chemical compound with molecular formula C15H20N2O2 and molecular weight 260.15 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-(3-methylbutyl)pyrrol-3-yl]prop-2-enoic acid
Also Known As: (2E)-2-cyano-3-[2,5-dimethyl-1-(3-methylbutyl)-1H-pyrrol-3-yl]acrylic acid, 2-cyano-3-[2,5-dimethyl-1-(3-methylbutyl)-1H-pyrrol-3-yl]prop-2-enoic acid, (E)-2-cyano-3-[2,5-dimethyl-1-(3-methylbutyl)pyrrol-3-yl]prop-2-enoic acid, 2-CYANO-3-(1-ISOPENTYL-2,5-DIMETHYL-1H-PYRROL-3-YL)ACRYLIC ACID, 2-Cyano-3-[2,5-dimethyl-1-(3-methylbutyl)-1H-pyrrol-3-yl]acrylic acid
| Molecular Formula | C15H20N2O2 |
|---|---|
| Molecular Weight | 260.15 g/mol |
| LogP | 3.14262 |
| Topological Polar Surface Area | 66.02 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 260.15247 |
| Heavy Atoms | 19 |
| Complexity | 545.2272 |
Chemical Identifiers
| CAS Number | 731002-11-2 |
|---|---|
| SMILES | CC1=CC(=C(N1CCC(C)C)C)/C=C(\C#N)/C(=O)O |
Product Overview
(2E)-2-cyano-3-[2,5-dimethyl-1-(3-methylbutyl)-1H-pyrrol-3-yl]acrylic acid (CAS 731002-11-2), with molecular formula C15H20N2O2 and molecular weight 260.15 g/mol. IUPAC: (E)-2-cyano-3-[2,5-dimethyl-1-(3-methylbutyl)pyrrol-3-yl]prop-2-enoic acid.
Chemical Property Profile of (2E)-2-cyano-3-[2,5-dimethyl-1-(3-methylbutyl)-1H-pyrrol-3-yl]acrylic acid
Property Insights of (2E)-2-cyano-3-[2,5-dimethyl-1-(3-methylbutyl)-1H-pyrrol-3-yl]acrylic acid
The XLogP value of 3.14262 indicates that (2E)-2-cyano-3-[2,5-dimethyl-1-(3-methylbutyl)-1H-pyrrol-3-yl]acrylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. 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-(3-methylbutyl)-1H-pyrrol-3-yl]acrylic acid. Following Lipinski's Rule of Five, (2E)-2-cyano-3-[2,5-dimethyl-1-(3-methylbutyl)-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-(3-methylbutyl)-1H-pyrrol-3-yl]acrylic acid?
The CAS number of (2E)-2-cyano-3-[2,5-dimethyl-1-(3-methylbutyl)-1H-pyrrol-3-yl]acrylic acid is 731002-11-2.
What is the molecular formula of (2E)-2-cyano-3-[2,5-dimethyl-1-(3-methylbutyl)-1H-pyrrol-3-yl]acrylic acid?
The molecular formula of (2E)-2-cyano-3-[2,5-dimethyl-1-(3-methylbutyl)-1H-pyrrol-3-yl]acrylic acid is C15H20N2O2.
What is the molecular weight of (2E)-2-cyano-3-[2,5-dimethyl-1-(3-methylbutyl)-1H-pyrrol-3-yl]acrylic acid?
The molecular weight of (2E)-2-cyano-3-[2,5-dimethyl-1-(3-methylbutyl)-1H-pyrrol-3-yl]acrylic acid is 260.15 g/mol.
Where can I buy (2E)-2-cyano-3-[2,5-dimethyl-1-(3-methylbutyl)-1H-pyrrol-3-yl]acrylic acid?
You can request a quote for (2E)-2-cyano-3-[2,5-dimethyl-1-(3-methylbutyl)-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-(3-methylbutyl)-1H-pyrrol-3-yl]acrylic acid?
Yes, KEHONG BIO provides custom synthesis services for (2E)-2-cyano-3-[2,5-dimethyl-1-(3-methylbutyl)-1H-pyrrol-3-yl]acrylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.