![4-[1-methyl-5-(2,2,2-trichloroacetyl)-1H-pyrrol-3-yl]-4-oxo-2-butenoic acid structure](/static/products/3383/338395-79-2.webp)
4-[1-methyl-5-(2,2,2-trichloroacetyl)-1H-pyrrol-3-yl]-4-oxo-2-butenoic acid
TL;DR: 4-[1-methyl-5-(2,2,2-trichloroacetyl)-1H-pyrrol-3-yl]-4-oxo-2-butenoic acid (CAS 338395-79-2) is a chemical compound with molecular formula C11H8Cl3NO4 and molecular weight 322.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[1-methyl-5-(2,2,2-trichloroacetyl)pyrrol-3-yl]-4-oxobut-2-enoic acid
Also Known As: 4-[1-methyl-5-(2,2,2-trichloroacetyl)-1H-pyrrol-3-yl]-4-oxo-2-butenoic acid, 4-[1-methyl-5-(2,2,2-trichloroacetyl)pyrrol-3-yl]-4-oxobut-2-enoic acid, 4-[1-Methyl-5-(trichloroacetyl)-1H-pyrrol-3-yl]-4-oxobut-2-enoic acid, 4-[1-methyl-5-(2,2,2-trichloroacetyl)pyrrol-3-yl]-4-oxo-but-2-enoic Acid
| Molecular Formula | C11H8Cl3NO4 |
|---|---|
| Molecular Weight | 322.95 g/mol |
| LogP | 2.4015 |
| Topological Polar Surface Area | 76.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 322.9519 |
| Heavy Atoms | 19 |
| Complexity | 568.9857 |
Chemical Identifiers
| CAS Number | 338395-79-2 |
|---|---|
| SMILES | CN1C=C(C=C1C(=O)C(Cl)(Cl)Cl)C(=O)C=CC(=O)O |
Product Overview
4-[1-methyl-5-(2,2,2-trichloroacetyl)-1H-pyrrol-3-yl]-4-oxo-2-butenoic acid (CAS 338395-79-2), with molecular formula C11H8Cl3NO4 and molecular weight 322.95 g/mol. IUPAC: 4-[1-methyl-5-(2,2,2-trichloroacetyl)pyrrol-3-yl]-4-oxobut-2-enoic acid.
Chemical Property Profile of 4-[1-methyl-5-(2,2,2-trichloroacetyl)-1H-pyrrol-3-yl]-4-oxo-2-butenoic acid
Property Insights of 4-[1-methyl-5-(2,2,2-trichloroacetyl)-1H-pyrrol-3-yl]-4-oxo-2-butenoic acid
The XLogP value of 2.4015 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[1-methyl-5-(2,2,2-trichloroacetyl)-1H-pyrrol-3-yl]-4-oxo-2-butenoic acid. The TPSA of 76.37 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[1-methyl-5-(2,2,2-trichloroacetyl)-1H-pyrrol-3-yl]-4-oxo-2-butenoic acid. Following Lipinski's Rule of Five, 4-[1-methyl-5-(2,2,2-trichloroacetyl)-1H-pyrrol-3-yl]-4-oxo-2-butenoic 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 4-[1-methyl-5-(2,2,2-trichloroacetyl)-1H-pyrrol-3-yl]-4-oxo-2-butenoic acid?
The CAS number of 4-[1-methyl-5-(2,2,2-trichloroacetyl)-1H-pyrrol-3-yl]-4-oxo-2-butenoic acid is 338395-79-2.
What is the molecular formula of 4-[1-methyl-5-(2,2,2-trichloroacetyl)-1H-pyrrol-3-yl]-4-oxo-2-butenoic acid?
The molecular formula of 4-[1-methyl-5-(2,2,2-trichloroacetyl)-1H-pyrrol-3-yl]-4-oxo-2-butenoic acid is C11H8Cl3NO4.
What is the molecular weight of 4-[1-methyl-5-(2,2,2-trichloroacetyl)-1H-pyrrol-3-yl]-4-oxo-2-butenoic acid?
The molecular weight of 4-[1-methyl-5-(2,2,2-trichloroacetyl)-1H-pyrrol-3-yl]-4-oxo-2-butenoic acid is 322.95 g/mol.
Where can I buy 4-[1-methyl-5-(2,2,2-trichloroacetyl)-1H-pyrrol-3-yl]-4-oxo-2-butenoic acid?
You can request a quote for 4-[1-methyl-5-(2,2,2-trichloroacetyl)-1H-pyrrol-3-yl]-4-oxo-2-butenoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[1-methyl-5-(2,2,2-trichloroacetyl)-1H-pyrrol-3-yl]-4-oxo-2-butenoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-[1-methyl-5-(2,2,2-trichloroacetyl)-1H-pyrrol-3-yl]-4-oxo-2-butenoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.