Phenacyl 4-(2,5-dimethylpyrrol-1-yl)benzoate
TL;DR: Phenacyl 4-(2,5-dimethylpyrrol-1-yl)benzoate (CAS 355153-98-9) is a chemical compound with molecular formula C21H19NO3 and molecular weight 333.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
phenacyl 4-(2,5-dimethylpyrrol-1-yl)benzoate
Also Known As: phenacyl 4-(2,5-dimethylpyrrol-1-yl)benzoate, 2-oxo-2-phenylethyl 4-(2,5-dimethyl-1H-pyrrol-1-yl)benzoate, BAS 00649175, 2-oxo-2-phenylethyl 4-(2,5-dimethylpyrrolyl)benzoate, 2-OXO-2-PHENYLETHYL 4-(2,5-DIMETHYLPYRROL-1-YL)BENZOATE
| Molecular Formula | C21H19NO3 |
|---|---|
| Molecular Weight | 333.14 g/mol |
| LogP | 4.13384 |
| Topological Polar Surface Area | 48.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 333.1365 |
| Heavy Atoms | 25 |
| Complexity | 873.1504 |
Chemical Identifiers
| CAS Number | 355153-98-9 |
|---|---|
| SMILES | CC1=CC=C(N1C2=CC=C(C=C2)C(=O)OCC(=O)C3=CC=CC=C3)C |
Product Overview
Phenacyl 4-(2,5-dimethylpyrrol-1-yl)benzoate (CAS 355153-98-9), with molecular formula C21H19NO3 and molecular weight 333.14 g/mol. IUPAC: phenacyl 4-(2,5-dimethylpyrrol-1-yl)benzoate.
Chemical Property Profile of Phenacyl 4-(2,5-dimethylpyrrol-1-yl)benzoate
Property Insights of Phenacyl 4-(2,5-dimethylpyrrol-1-yl)benzoate
The XLogP value of 4.13384 indicates that Phenacyl 4-(2,5-dimethylpyrrol-1-yl)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 48.3 Ų, Phenacyl 4-(2,5-dimethylpyrrol-1-yl)benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phenacyl 4-(2,5-dimethylpyrrol-1-yl)benzoate has 0 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 Phenacyl 4-(2,5-dimethylpyrrol-1-yl)benzoate?
The CAS number of Phenacyl 4-(2,5-dimethylpyrrol-1-yl)benzoate is 355153-98-9.
What is the molecular formula of Phenacyl 4-(2,5-dimethylpyrrol-1-yl)benzoate?
The molecular formula of Phenacyl 4-(2,5-dimethylpyrrol-1-yl)benzoate is C21H19NO3.
What is the molecular weight of Phenacyl 4-(2,5-dimethylpyrrol-1-yl)benzoate?
The molecular weight of Phenacyl 4-(2,5-dimethylpyrrol-1-yl)benzoate is 333.14 g/mol.
Where can I buy Phenacyl 4-(2,5-dimethylpyrrol-1-yl)benzoate?
You can request a quote for Phenacyl 4-(2,5-dimethylpyrrol-1-yl)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenacyl 4-(2,5-dimethylpyrrol-1-yl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Phenacyl 4-(2,5-dimethylpyrrol-1-yl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.