4-(acetylamino)phenyl 1-methyl-5-(4-methylbenzoyl)-1H-pyrrole-2-acetate
TL;DR: 4-(acetylamino)phenyl 1-methyl-5-(4-methylbenzoyl)-1H-pyrrole-2-acetate (CAS 86944-17-4) is a chemical compound with molecular formula C23H22N2O4 and molecular weight 390.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-acetamidophenyl) 2-[1-methyl-5-(4-methylbenzoyl)pyrrol-2-yl]acetate
Also Known As: 4-(Acetylamino)phenyl 1-methyl-5-(4-methylbenzoyl)-1H-pyrrole-2-acetate, 4- phenyl1-methyl-5-1h-pyrrole-2-acetate, 4- phenyl1-methyl-5- -1H-pyrrole-2-acetate, (4-acetamidophenyl) 2-[1-methyl-5-(4-methylbenzoyl)pyrrol-2-yl]acetate, 1H-Pyrrole-2-acetic acid, 1-methyl-5-(4-methylbenzoyl)-, 4-(acetylamino)phenyl ester
| Molecular Formula | C23H22N2O4 |
|---|---|
| Molecular Weight | 390.16 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 77.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 390.15796 |
| Heavy Atoms | 29 |
| Complexity | 592.0 |
Chemical Identifiers
| CAS Number | 86944-17-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)C2=CC=C(N2C)CC(=O)OC3=CC=C(C=C3)NC(=O)C |
| InChIKey | FILYHFFLMZBUSY-UHFFFAOYSA-N |
Product Overview
4-(acetylamino)phenyl 1-methyl-5-(4-methylbenzoyl)-1H-pyrrole-2-acetate (CAS 86944-17-4), with molecular formula C23H22N2O4 and molecular weight 390.16 g/mol. IUPAC: (4-acetamidophenyl) 2-[1-methyl-5-(4-methylbenzoyl)pyrrol-2-yl]acetate.
Chemical Property Profile of 4-(acetylamino)phenyl 1-methyl-5-(4-methylbenzoyl)-1H-pyrrole-2-acetate
Property Insights of 4-(acetylamino)phenyl 1-methyl-5-(4-methylbenzoyl)-1H-pyrrole-2-acetate
The XLogP value of 3.9 indicates that 4-(acetylamino)phenyl 1-methyl-5-(4-methylbenzoyl)-1H-pyrrole-2-acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(acetylamino)phenyl 1-methyl-5-(4-methylbenzoyl)-1H-pyrrole-2-acetate. Following Lipinski's Rule of Five, 4-(acetylamino)phenyl 1-methyl-5-(4-methylbenzoyl)-1H-pyrrole-2-acetate has 1 hydrogen bond donor(s) and 4 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-(acetylamino)phenyl 1-methyl-5-(4-methylbenzoyl)-1H-pyrrole-2-acetate?
The CAS number of 4-(acetylamino)phenyl 1-methyl-5-(4-methylbenzoyl)-1H-pyrrole-2-acetate is 86944-17-4.
What is the molecular formula of 4-(acetylamino)phenyl 1-methyl-5-(4-methylbenzoyl)-1H-pyrrole-2-acetate?
The molecular formula of 4-(acetylamino)phenyl 1-methyl-5-(4-methylbenzoyl)-1H-pyrrole-2-acetate is C23H22N2O4.
What is the molecular weight of 4-(acetylamino)phenyl 1-methyl-5-(4-methylbenzoyl)-1H-pyrrole-2-acetate?
The molecular weight of 4-(acetylamino)phenyl 1-methyl-5-(4-methylbenzoyl)-1H-pyrrole-2-acetate is 390.16 g/mol.
Where can I buy 4-(acetylamino)phenyl 1-methyl-5-(4-methylbenzoyl)-1H-pyrrole-2-acetate?
You can request a quote for 4-(acetylamino)phenyl 1-methyl-5-(4-methylbenzoyl)-1H-pyrrole-2-acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(acetylamino)phenyl 1-methyl-5-(4-methylbenzoyl)-1H-pyrrole-2-acetate?
Yes, KEHONG BIO provides custom synthesis services for 4-(acetylamino)phenyl 1-methyl-5-(4-methylbenzoyl)-1H-pyrrole-2-acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.