![(2E)-3-[2,5-dimethyl-1-(4-methylphenyl)-1H-pyrrol-3-yl]prop-2-enoic acid structure](/static/products/2999/299922-51-3.webp)
(2E)-3-[2,5-dimethyl-1-(4-methylphenyl)-1H-pyrrol-3-yl]prop-2-enoic acid
TL;DR: (2E)-3-[2,5-dimethyl-1-(4-methylphenyl)-1H-pyrrol-3-yl]prop-2-enoic acid (CAS 299922-51-3) is a chemical compound with molecular formula C16H17NO2 and molecular weight 255.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]prop-2-enoic acid
Also Known As: (2E)-3-[2,5-dimethyl-1-(4-methylphenyl)-1H-pyrrol-3-yl]prop-2-enoic acid, (2E)-3-[2,5-dimethyl-1-(4-methylphenyl)-1H-pyrrol-3-yl]acrylic acid, (E)-3-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]prop-2-enoic acid, 3-[2,5-Dimethyl-1-(4-methylphenyl)-1H-pyrrol-3-yl]prop-2-enoic acid, Propenoic acid, 3-[2,5-dimethyl-1-(4-methylphenyl)-3-pyrrolyl]-
| Molecular Formula | C16H17NO2 |
|---|---|
| Molecular Weight | 255.13 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 42.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 255.12593 |
| Heavy Atoms | 19 |
| Complexity | 345.0 |
Chemical Identifiers
| CAS Number | 299922-51-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C(=CC(=C2C)/C=C/C(=O)O)C |
| InChIKey | HVOSWNCTGOTMRC-RMKNXTFCSA-N |
Product Overview
(2E)-3-[2,5-dimethyl-1-(4-methylphenyl)-1H-pyrrol-3-yl]prop-2-enoic acid (CAS 299922-51-3), with molecular formula C16H17NO2 and molecular weight 255.13 g/mol. IUPAC: (E)-3-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]prop-2-enoic acid.
Chemical Property Profile of (2E)-3-[2,5-dimethyl-1-(4-methylphenyl)-1H-pyrrol-3-yl]prop-2-enoic acid
Property Insights of (2E)-3-[2,5-dimethyl-1-(4-methylphenyl)-1H-pyrrol-3-yl]prop-2-enoic acid
The XLogP value of 3.4 indicates that (2E)-3-[2,5-dimethyl-1-(4-methylphenyl)-1H-pyrrol-3-yl]prop-2-enoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.2 Ų, (2E)-3-[2,5-dimethyl-1-(4-methylphenyl)-1H-pyrrol-3-yl]prop-2-enoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2E)-3-[2,5-dimethyl-1-(4-methylphenyl)-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 (2E)-3-[2,5-dimethyl-1-(4-methylphenyl)-1H-pyrrol-3-yl]prop-2-enoic acid?
The CAS number of (2E)-3-[2,5-dimethyl-1-(4-methylphenyl)-1H-pyrrol-3-yl]prop-2-enoic acid is 299922-51-3.
What is the molecular formula of (2E)-3-[2,5-dimethyl-1-(4-methylphenyl)-1H-pyrrol-3-yl]prop-2-enoic acid?
The molecular formula of (2E)-3-[2,5-dimethyl-1-(4-methylphenyl)-1H-pyrrol-3-yl]prop-2-enoic acid is C16H17NO2.
What is the molecular weight of (2E)-3-[2,5-dimethyl-1-(4-methylphenyl)-1H-pyrrol-3-yl]prop-2-enoic acid?
The molecular weight of (2E)-3-[2,5-dimethyl-1-(4-methylphenyl)-1H-pyrrol-3-yl]prop-2-enoic acid is 255.13 g/mol.
Where can I buy (2E)-3-[2,5-dimethyl-1-(4-methylphenyl)-1H-pyrrol-3-yl]prop-2-enoic acid?
You can request a quote for (2E)-3-[2,5-dimethyl-1-(4-methylphenyl)-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 (2E)-3-[2,5-dimethyl-1-(4-methylphenyl)-1H-pyrrol-3-yl]prop-2-enoic acid?
Yes, KEHONG BIO provides custom synthesis services for (2E)-3-[2,5-dimethyl-1-(4-methylphenyl)-1H-pyrrol-3-yl]prop-2-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.