2-(4-chlorophenyl)-2-oxoethyl 4-(2,5-dimethyl-1H-pyrrol-1-yl)benzoate
TL;DR: 2-(4-chlorophenyl)-2-oxoethyl 4-(2,5-dimethyl-1H-pyrrol-1-yl)benzoate (CAS 313392-16-4) is a chemical compound with molecular formula C21H18ClNO3 and molecular weight 367.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(4-chlorophenyl)-2-oxoethyl] 4-(2,5-dimethylpyrrol-1-yl)benzoate
Also Known As: TimTec1_000755, 2-(4-chlorophenyl)-2-oxoethyl 4-(2,5-dimethyl-1H-pyrrol-1-yl)benzoate, BRD-K04504023-001-01-3, 2-(4-chlorophenyl)-2-oxoethyl 4-(2,5-dimethylpyrrolyl)benzoate, [2-(4-chlorophenyl)-2-oxoethyl] 4-(2,5-dimethylpyrrol-1-yl)benzoate
| Molecular Formula | C21H18ClNO3 |
|---|---|
| Molecular Weight | 367.10 g/mol |
| LogP | 4.78724 |
| Topological Polar Surface Area | 48.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 367.09753 |
| Heavy Atoms | 26 |
| Complexity | 920.89246 |
Chemical Identifiers
| CAS Number | 313392-16-4 |
|---|---|
| SMILES | CC1=CC=C(N1C2=CC=C(C=C2)C(=O)OCC(=O)C3=CC=C(C=C3)Cl)C |
Product Overview
2-(4-chlorophenyl)-2-oxoethyl 4-(2,5-dimethyl-1H-pyrrol-1-yl)benzoate (CAS 313392-16-4), with molecular formula C21H18ClNO3 and molecular weight 367.10 g/mol. IUPAC: [2-(4-chlorophenyl)-2-oxoethyl] 4-(2,5-dimethylpyrrol-1-yl)benzoate.
Chemical Property Profile of 2-(4-chlorophenyl)-2-oxoethyl 4-(2,5-dimethyl-1H-pyrrol-1-yl)benzoate
Property Insights of 2-(4-chlorophenyl)-2-oxoethyl 4-(2,5-dimethyl-1H-pyrrol-1-yl)benzoate
The XLogP value of 4.78724 indicates that 2-(4-chlorophenyl)-2-oxoethyl 4-(2,5-dimethyl-1H-pyrrol-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, 2-(4-chlorophenyl)-2-oxoethyl 4-(2,5-dimethyl-1H-pyrrol-1-yl)benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-chlorophenyl)-2-oxoethyl 4-(2,5-dimethyl-1H-pyrrol-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 2-(4-chlorophenyl)-2-oxoethyl 4-(2,5-dimethyl-1H-pyrrol-1-yl)benzoate?
The CAS number of 2-(4-chlorophenyl)-2-oxoethyl 4-(2,5-dimethyl-1H-pyrrol-1-yl)benzoate is 313392-16-4.
What is the molecular formula of 2-(4-chlorophenyl)-2-oxoethyl 4-(2,5-dimethyl-1H-pyrrol-1-yl)benzoate?
The molecular formula of 2-(4-chlorophenyl)-2-oxoethyl 4-(2,5-dimethyl-1H-pyrrol-1-yl)benzoate is C21H18ClNO3.
What is the molecular weight of 2-(4-chlorophenyl)-2-oxoethyl 4-(2,5-dimethyl-1H-pyrrol-1-yl)benzoate?
The molecular weight of 2-(4-chlorophenyl)-2-oxoethyl 4-(2,5-dimethyl-1H-pyrrol-1-yl)benzoate is 367.10 g/mol.
Where can I buy 2-(4-chlorophenyl)-2-oxoethyl 4-(2,5-dimethyl-1H-pyrrol-1-yl)benzoate?
You can request a quote for 2-(4-chlorophenyl)-2-oxoethyl 4-(2,5-dimethyl-1H-pyrrol-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 2-(4-chlorophenyl)-2-oxoethyl 4-(2,5-dimethyl-1H-pyrrol-1-yl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-chlorophenyl)-2-oxoethyl 4-(2,5-dimethyl-1H-pyrrol-1-yl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.