methyl (4E)-4-(2-oxo-5-phenyl-1H-pyrrol-3-ylidene)-4-phenylbutanoate
TL;DR: methyl (4E)-4-(2-oxo-5-phenyl-1H-pyrrol-3-ylidene)-4-phenylbutanoate (CAS 1164510-38-6) 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.
methyl (4E)-4-(2-oxo-5-phenyl-1H-pyrrol-3-ylidene)-4-phenylbutanoate
Also Known As: methyl 4-(2-oxo-5-phenylazolin-3-ylidene)-4-phenylbutanoate, (E)-methyl 4-(2-oxo-5-phenyl-1H-pyrrol-3(2H)-ylidene)-4-phenylbutanoate, methyl (4E)-4-(2-oxo-5-phenyl-1H-pyrrol-3-ylidene)-4-phenylbutanoate, 4-[2-Oxo-5-phenyl-1,2-dihydro-pyrrol-(3E)-ylidene]-4-phenyl-butyric acid methyl ester, methyl (4E)-4-(2-oxo-5-phenyl-1,2-dihydro-3H-pyrrol-3-ylidene)-4-phenylbutanoate
| Molecular Formula | C21H19NO3 |
|---|---|
| Molecular Weight | 333.14 g/mol |
| LogP | 3.5643 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 333.1365 |
| Heavy Atoms | 25 |
| Complexity | 835.9596 |
Chemical Identifiers
| CAS Number | 1164510-38-6 |
|---|---|
| SMILES | COC(=O)CC/C(=C\1/C=C(NC1=O)C2=CC=CC=C2)/C3=CC=CC=C3 |
Product Overview
methyl (4E)-4-(2-oxo-5-phenyl-1H-pyrrol-3-ylidene)-4-phenylbutanoate (CAS 1164510-38-6), with molecular formula C21H19NO3 and molecular weight 333.14 g/mol. IUPAC: methyl (4E)-4-(2-oxo-5-phenyl-1H-pyrrol-3-ylidene)-4-phenylbutanoate.
Chemical Property Profile of methyl (4E)-4-(2-oxo-5-phenyl-1H-pyrrol-3-ylidene)-4-phenylbutanoate
Property Insights of methyl (4E)-4-(2-oxo-5-phenyl-1H-pyrrol-3-ylidene)-4-phenylbutanoate
The XLogP value of 3.5643 indicates that methyl (4E)-4-(2-oxo-5-phenyl-1H-pyrrol-3-ylidene)-4-phenylbutanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.4 Ų, methyl (4E)-4-(2-oxo-5-phenyl-1H-pyrrol-3-ylidene)-4-phenylbutanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl (4E)-4-(2-oxo-5-phenyl-1H-pyrrol-3-ylidene)-4-phenylbutanoate 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 methyl (4E)-4-(2-oxo-5-phenyl-1H-pyrrol-3-ylidene)-4-phenylbutanoate?
The CAS number of methyl (4E)-4-(2-oxo-5-phenyl-1H-pyrrol-3-ylidene)-4-phenylbutanoate is 1164510-38-6.
What is the molecular formula of methyl (4E)-4-(2-oxo-5-phenyl-1H-pyrrol-3-ylidene)-4-phenylbutanoate?
The molecular formula of methyl (4E)-4-(2-oxo-5-phenyl-1H-pyrrol-3-ylidene)-4-phenylbutanoate is C21H19NO3.
What is the molecular weight of methyl (4E)-4-(2-oxo-5-phenyl-1H-pyrrol-3-ylidene)-4-phenylbutanoate?
The molecular weight of methyl (4E)-4-(2-oxo-5-phenyl-1H-pyrrol-3-ylidene)-4-phenylbutanoate is 333.14 g/mol.
Where can I buy methyl (4E)-4-(2-oxo-5-phenyl-1H-pyrrol-3-ylidene)-4-phenylbutanoate?
You can request a quote for methyl (4E)-4-(2-oxo-5-phenyl-1H-pyrrol-3-ylidene)-4-phenylbutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl (4E)-4-(2-oxo-5-phenyl-1H-pyrrol-3-ylidene)-4-phenylbutanoate?
Yes, KEHONG BIO provides custom synthesis services for methyl (4E)-4-(2-oxo-5-phenyl-1H-pyrrol-3-ylidene)-4-phenylbutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.