2-cyano-3-(1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrol-3-yl)prop-2-enoic acid
TL;DR: 2-cyano-3-(1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrol-3-yl)prop-2-enoic acid (CAS 743440-54-2) is a chemical compound with molecular formula C13H16N2O3 and molecular weight 248.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-2-cyano-3-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]prop-2-enoic acid
Also Known As: (2E)-2-cyano-3-[1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrol-3-yl]acrylic acid, 2-Cyano-3-(1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrol-3-yl)acrylic acid, 2-cyano-3-[1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrol-3-yl]prop-2-enoic acid, (E)-2-cyano-3-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]prop-2-enoic acid, (E)-2-Cyano-3-[1-(2-methoxyethyl)-2,5-dimethyl-3-pyrrolyl]acrylic Acid
| Molecular Formula | C13H16N2O3 |
|---|---|
| Molecular Weight | 248.12 g/mol |
| LogP | 1.74292 |
| Topological Polar Surface Area | 75.25 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 248.11609 |
| Heavy Atoms | 18 |
| Complexity | 521.07404 |
Chemical Identifiers
| CAS Number | 743440-54-2 |
|---|---|
| SMILES | CC1=CC(=C(N1CCOC)C)/C=C(\C#N)/C(=O)O |
Product Overview
2-cyano-3-(1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrol-3-yl)prop-2-enoic acid (CAS 743440-54-2), with molecular formula C13H16N2O3 and molecular weight 248.12 g/mol. IUPAC: (E)-2-cyano-3-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]prop-2-enoic acid.
Chemical Property Profile of 2-cyano-3-(1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrol-3-yl)prop-2-enoic acid
Property Insights of 2-cyano-3-(1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrol-3-yl)prop-2-enoic acid
The XLogP value of 1.74292 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-cyano-3-(1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrol-3-yl)prop-2-enoic acid. The TPSA of 75.25 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-cyano-3-(1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrol-3-yl)prop-2-enoic acid. Following Lipinski's Rule of Five, 2-cyano-3-(1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrol-3-yl)prop-2-enoic 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
Frequently Asked Questions
What is the CAS number of 2-cyano-3-(1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrol-3-yl)prop-2-enoic acid?
The CAS number of 2-cyano-3-(1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrol-3-yl)prop-2-enoic acid is 743440-54-2.
What is the molecular formula of 2-cyano-3-(1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrol-3-yl)prop-2-enoic acid?
The molecular formula of 2-cyano-3-(1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrol-3-yl)prop-2-enoic acid is C13H16N2O3.
What is the molecular weight of 2-cyano-3-(1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrol-3-yl)prop-2-enoic acid?
The molecular weight of 2-cyano-3-(1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrol-3-yl)prop-2-enoic acid is 248.12 g/mol.
Where can I buy 2-cyano-3-(1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrol-3-yl)prop-2-enoic acid?
You can request a quote for 2-cyano-3-(1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrol-3-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 2-cyano-3-(1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrol-3-yl)prop-2-enoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-cyano-3-(1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrol-3-yl)prop-2-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.