1H-Pyrrole-2-acetic acid, 5-(4-methylbenzoyl)-, 4-(acetylamino)phenyl ester
TL;DR: 1H-Pyrrole-2-acetic acid, 5-(4-methylbenzoyl)-, 4-(acetylamino)phenyl ester (CAS 86695-20-7) is a chemical compound with molecular formula C22H20N2O4 and molecular weight 376.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-acetamidophenyl) 2-[5-(4-methylbenzoyl)-1H-pyrrol-2-yl]acetate
Also Known As: 1H-Pyrrole-2-acetic acid, 5-(4-methylbenzoyl)-, 4-(acetylamino)phenyl ester, (4-acetamidophenyl) 2-[5-(4-methylbenzoyl)-1H-pyrrol-2-yl]acetate, 4-Acetamidophenyl [5-(4-methylbenzoyl)-1H-pyrrol-2-yl]acetate, 4-acetamidophenyl 2-[5-(4-methylbenzoyl)-1H-pyrrol-2-yl]acetate, 5-(4-Methylbenzoyl)-1H-pyrrole-2-acetic acid 4-(acetylamino)phenyl ester
| Molecular Formula | C22H20N2O4 |
|---|---|
| Molecular Weight | 376.14 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 88.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 376.1423 |
| Heavy Atoms | 28 |
| Complexity | 563.0 |
Chemical Identifiers
| CAS Number | 86695-20-7 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)C2=CC=C(N2)CC(=O)OC3=CC=C(C=C3)NC(=O)C |
| InChIKey | WLWCEIVKHXAYAO-UHFFFAOYSA-N |
Product Overview
1H-Pyrrole-2-acetic acid, 5-(4-methylbenzoyl)-, 4-(acetylamino)phenyl ester (CAS 86695-20-7), with molecular formula C22H20N2O4 and molecular weight 376.14 g/mol. IUPAC: (4-acetamidophenyl) 2-[5-(4-methylbenzoyl)-1H-pyrrol-2-yl]acetate.
Chemical Property Profile of 1H-Pyrrole-2-acetic acid, 5-(4-methylbenzoyl)-, 4-(acetylamino)phenyl ester
Property Insights of 1H-Pyrrole-2-acetic acid, 5-(4-methylbenzoyl)-, 4-(acetylamino)phenyl ester
The XLogP value of 3.3 indicates that 1H-Pyrrole-2-acetic acid, 5-(4-methylbenzoyl)-, 4-(acetylamino)phenyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-Pyrrole-2-acetic acid, 5-(4-methylbenzoyl)-, 4-(acetylamino)phenyl ester. Following Lipinski's Rule of Five, 1H-Pyrrole-2-acetic acid, 5-(4-methylbenzoyl)-, 4-(acetylamino)phenyl ester has 2 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 1H-Pyrrole-2-acetic acid, 5-(4-methylbenzoyl)-, 4-(acetylamino)phenyl ester?
The CAS number of 1H-Pyrrole-2-acetic acid, 5-(4-methylbenzoyl)-, 4-(acetylamino)phenyl ester is 86695-20-7.
What is the molecular formula of 1H-Pyrrole-2-acetic acid, 5-(4-methylbenzoyl)-, 4-(acetylamino)phenyl ester?
The molecular formula of 1H-Pyrrole-2-acetic acid, 5-(4-methylbenzoyl)-, 4-(acetylamino)phenyl ester is C22H20N2O4.
What is the molecular weight of 1H-Pyrrole-2-acetic acid, 5-(4-methylbenzoyl)-, 4-(acetylamino)phenyl ester?
The molecular weight of 1H-Pyrrole-2-acetic acid, 5-(4-methylbenzoyl)-, 4-(acetylamino)phenyl ester is 376.14 g/mol.
Where can I buy 1H-Pyrrole-2-acetic acid, 5-(4-methylbenzoyl)-, 4-(acetylamino)phenyl ester?
You can request a quote for 1H-Pyrrole-2-acetic acid, 5-(4-methylbenzoyl)-, 4-(acetylamino)phenyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Pyrrole-2-acetic acid, 5-(4-methylbenzoyl)-, 4-(acetylamino)phenyl ester?
Yes, KEHONG BIO provides custom synthesis services for 1H-Pyrrole-2-acetic acid, 5-(4-methylbenzoyl)-, 4-(acetylamino)phenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.