![(2E)-3-{1-methyl-4-[(4-methylphenyl)carbonyl]-1H-pyrrol-2-yl}prop-2-enoic acid structure](/static/products/1173/117378-89-9.webp)
(2E)-3-{1-methyl-4-[(4-methylphenyl)carbonyl]-1H-pyrrol-2-yl}prop-2-enoic acid
TL;DR: (2E)-3-{1-methyl-4-[(4-methylphenyl)carbonyl]-1H-pyrrol-2-yl}prop-2-enoic acid (CAS 117378-89-9) is a chemical compound with molecular formula C16H15NO3 and molecular weight 269.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-[1-methyl-4-(4-methylbenzoyl)pyrrol-2-yl]prop-2-enoic acid
Also Known As: (2E)-3-{1-methyl-4-[(4-methylphenyl)carbonyl]-1H-pyrrol-2-yl}prop-2-enoic acid, (E)-3-[1-methyl-4-(4-methylbenzoyl)pyrrol-2-yl]prop-2-enoic acid, (2E)-3-[1-methyl-4-(4-methylbenzoyl)-1H-pyrrol-2-yl]prop-2-enoic acid, methylmethylphenylcarbonylpyrrolylpropenoicacid, 3-[1-Methyl-4-(4-methyl-benzoyl)-1H-pyrrol-2-yl]-acrylic acid
| Molecular Formula | C16H15NO3 |
|---|---|
| Molecular Weight | 269.11 g/mol |
| LogP | 2.66232 |
| Topological Polar Surface Area | 59.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 269.1052 |
| Heavy Atoms | 20 |
| Complexity | 678.2476 |
Chemical Identifiers
| CAS Number | 117378-89-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)C2=CN(C(=C2)/C=C/C(=O)O)C |
Product Overview
(2E)-3-{1-methyl-4-[(4-methylphenyl)carbonyl]-1H-pyrrol-2-yl}prop-2-enoic acid (CAS 117378-89-9), with molecular formula C16H15NO3 and molecular weight 269.11 g/mol. IUPAC: (E)-3-[1-methyl-4-(4-methylbenzoyl)pyrrol-2-yl]prop-2-enoic acid.
Chemical Property Profile of (2E)-3-{1-methyl-4-[(4-methylphenyl)carbonyl]-1H-pyrrol-2-yl}prop-2-enoic acid
Property Insights of (2E)-3-{1-methyl-4-[(4-methylphenyl)carbonyl]-1H-pyrrol-2-yl}prop-2-enoic acid
The XLogP value of 2.66232 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2E)-3-{1-methyl-4-[(4-methylphenyl)carbonyl]-1H-pyrrol-2-yl}prop-2-enoic acid. With a topological polar surface area (TPSA) of 59.3 Ų, (2E)-3-{1-methyl-4-[(4-methylphenyl)carbonyl]-1H-pyrrol-2-yl}prop-2-enoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2E)-3-{1-methyl-4-[(4-methylphenyl)carbonyl]-1H-pyrrol-2-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 (2E)-3-{1-methyl-4-[(4-methylphenyl)carbonyl]-1H-pyrrol-2-yl}prop-2-enoic acid?
The CAS number of (2E)-3-{1-methyl-4-[(4-methylphenyl)carbonyl]-1H-pyrrol-2-yl}prop-2-enoic acid is 117378-89-9.
What is the molecular formula of (2E)-3-{1-methyl-4-[(4-methylphenyl)carbonyl]-1H-pyrrol-2-yl}prop-2-enoic acid?
The molecular formula of (2E)-3-{1-methyl-4-[(4-methylphenyl)carbonyl]-1H-pyrrol-2-yl}prop-2-enoic acid is C16H15NO3.
What is the molecular weight of (2E)-3-{1-methyl-4-[(4-methylphenyl)carbonyl]-1H-pyrrol-2-yl}prop-2-enoic acid?
The molecular weight of (2E)-3-{1-methyl-4-[(4-methylphenyl)carbonyl]-1H-pyrrol-2-yl}prop-2-enoic acid is 269.11 g/mol.
Where can I buy (2E)-3-{1-methyl-4-[(4-methylphenyl)carbonyl]-1H-pyrrol-2-yl}prop-2-enoic acid?
You can request a quote for (2E)-3-{1-methyl-4-[(4-methylphenyl)carbonyl]-1H-pyrrol-2-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 (2E)-3-{1-methyl-4-[(4-methylphenyl)carbonyl]-1H-pyrrol-2-yl}prop-2-enoic acid?
Yes, KEHONG BIO provides custom synthesis services for (2E)-3-{1-methyl-4-[(4-methylphenyl)carbonyl]-1H-pyrrol-2-yl}prop-2-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.