![2-cyano-3-[1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]prop-2-enoic acid structure](/static/products/7330/733030-69-8.webp)
2-cyano-3-[1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]prop-2-enoic acid
TL;DR: 2-cyano-3-[1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]prop-2-enoic acid (CAS 733030-69-8) is a chemical compound with molecular formula C16H13FN2O2 and molecular weight 284.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-2-cyano-3-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]prop-2-enoic acid
Also Known As: 2-cyano-3-[1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]prop-2-enoic acid, 2-cyano-3-[1-(4-fluorophenyl)-2,5-dimethyl-pyrrol-3-yl]prop-2-enoic Acid, (E)-2-cyano-3-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]prop-2-enoic acid, 2-cyano-3-[1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]prop-2-enoicacid, 2-cyano-3-1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-ylprop-2-enoic acid
| Molecular Formula | C16H13FN2O2 |
|---|---|
| Molecular Weight | 284.10 g/mol |
| LogP | 3.22482 |
| Topological Polar Surface Area | 66.02 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 284.0961 |
| Heavy Atoms | 21 |
| Complexity | 764.81006 |
Chemical Identifiers
| CAS Number | 733030-69-8 |
|---|---|
| SMILES | CC1=CC(=C(N1C2=CC=C(C=C2)F)C)/C=C(\C#N)/C(=O)O |
Product Overview
2-cyano-3-[1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]prop-2-enoic acid (CAS 733030-69-8), with molecular formula C16H13FN2O2 and molecular weight 284.10 g/mol. IUPAC: (E)-2-cyano-3-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]prop-2-enoic acid.
Chemical Property Profile of 2-cyano-3-[1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]prop-2-enoic acid
Property Insights of 2-cyano-3-[1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]prop-2-enoic acid
The XLogP value of 3.22482 indicates that 2-cyano-3-[1-(4-fluorophenyl)-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 66.02 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-cyano-3-[1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]prop-2-enoic acid. Following Lipinski's Rule of Five, 2-cyano-3-[1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]prop-2-enoic 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 2-cyano-3-[1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]prop-2-enoic acid?
The CAS number of 2-cyano-3-[1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]prop-2-enoic acid is 733030-69-8.
What is the molecular formula of 2-cyano-3-[1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]prop-2-enoic acid?
The molecular formula of 2-cyano-3-[1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]prop-2-enoic acid is C16H13FN2O2.
What is the molecular weight of 2-cyano-3-[1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]prop-2-enoic acid?
The molecular weight of 2-cyano-3-[1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]prop-2-enoic acid is 284.10 g/mol.
Where can I buy 2-cyano-3-[1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]prop-2-enoic acid?
You can request a quote for 2-cyano-3-[1-(4-fluorophenyl)-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-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]prop-2-enoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-cyano-3-[1-(4-fluorophenyl)-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.