2-cyano-3-(1-(4-ethoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl)prop-2-enoic acid
TL;DR: 2-cyano-3-(1-(4-ethoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl)prop-2-enoic acid (CAS 736949-16-9) is a chemical compound with molecular formula C18H18N2O3 and molecular weight 310.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-2-cyano-3-[1-(4-ethoxyphenyl)-2,5-dimethylpyrrol-3-yl]prop-2-enoic acid
Also Known As: 2-cyano-3-[1-(4-ethoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]prop-2-enoic acid, (2E)-2-cyano-3-[1-(4-ethoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]acrylic acid, (E)-2-cyano-3-[1-(4-ethoxyphenyl)-2,5-dimethylpyrrol-3-yl]prop-2-enoic acid, 2-cyano-3-[1-(4-ethoxyphenyl)-2,5-dimethyl-pyrrol-3-yl]prop-2-enoic Acid, 2-CYANO-3-(1-(4-ETHOXYPHENYL)-2,5-DIMETHYL-1H-PYRROL-3-YL)ACRYLIC ACID
| Molecular Formula | C18H18N2O3 |
|---|---|
| Molecular Weight | 310.13 g/mol |
| LogP | 3.48442 |
| Topological Polar Surface Area | 75.25 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 310.13174 |
| Heavy Atoms | 23 |
| Complexity | 792.90955 |
Chemical Identifiers
| CAS Number | 736949-16-9 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)N2C(=CC(=C2C)/C=C(\C#N)/C(=O)O)C |
Product Overview
2-cyano-3-(1-(4-ethoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl)prop-2-enoic acid (CAS 736949-16-9), with molecular formula C18H18N2O3 and molecular weight 310.13 g/mol. IUPAC: (E)-2-cyano-3-[1-(4-ethoxyphenyl)-2,5-dimethylpyrrol-3-yl]prop-2-enoic acid.
Chemical Property Profile of 2-cyano-3-(1-(4-ethoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl)prop-2-enoic acid
Property Insights of 2-cyano-3-(1-(4-ethoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl)prop-2-enoic acid
The XLogP value of 3.48442 indicates that 2-cyano-3-(1-(4-ethoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl)prop-2-enoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.25 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-cyano-3-(1-(4-ethoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl)prop-2-enoic acid. Following Lipinski's Rule of Five, 2-cyano-3-(1-(4-ethoxyphenyl)-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-(4-ethoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl)prop-2-enoic acid?
The CAS number of 2-cyano-3-(1-(4-ethoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl)prop-2-enoic acid is 736949-16-9.
What is the molecular formula of 2-cyano-3-(1-(4-ethoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl)prop-2-enoic acid?
The molecular formula of 2-cyano-3-(1-(4-ethoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl)prop-2-enoic acid is C18H18N2O3.
What is the molecular weight of 2-cyano-3-(1-(4-ethoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl)prop-2-enoic acid?
The molecular weight of 2-cyano-3-(1-(4-ethoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl)prop-2-enoic acid is 310.13 g/mol.
Where can I buy 2-cyano-3-(1-(4-ethoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl)prop-2-enoic acid?
You can request a quote for 2-cyano-3-(1-(4-ethoxyphenyl)-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-(4-ethoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl)prop-2-enoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-cyano-3-(1-(4-ethoxyphenyl)-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.