![methyl 4-[(4-bromophenyl)methylidene]-1-cyclohexyl-2-methyl-5-oxopyrrole-3-carboxylate structure](/static/products/5071/5071-69-2.webp)
methyl 4-[(4-bromophenyl)methylidene]-1-cyclohexyl-2-methyl-5-oxopyrrole-3-carboxylate
TL;DR: methyl 4-[(4-bromophenyl)methylidene]-1-cyclohexyl-2-methyl-5-oxopyrrole-3-carboxylate (CAS 5071-69-2) is a chemical compound with molecular formula C20H22BrNO3 and molecular weight 403.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[(4-bromophenyl)methylidene]-1-cyclohexyl-2-methyl-5-oxopyrrole-3-carboxylate
Also Known As: methyl 4-[(4-bromophenyl)methylidene]-1-cyclohexyl-2-methyl-5-oxopyrrole-3-carboxylate, Methyl 4-[(4-bromophenyl)methylidene]-1-cyclohexyl-2-methyl-5-oxo-pyrrole-3-carboxylate, Methyl 4-[(4-bromophenyl)methylidene]-1-cyclohexyl-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
| Molecular Formula | C20H22BrNO3 |
|---|---|
| Molecular Weight | 403.08 g/mol |
| LogP | 4.4544 |
| Topological Polar Surface Area | 46.61 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 403.0783 |
| Heavy Atoms | 25 |
| Complexity | 742.7097 |
Chemical Identifiers
| CAS Number | 5071-69-2 |
|---|---|
| SMILES | CC1=C(C(=CC2=CC=C(C=C2)Br)C(=O)N1C3CCCCC3)C(=O)OC |
Product Overview
methyl 4-[(4-bromophenyl)methylidene]-1-cyclohexyl-2-methyl-5-oxopyrrole-3-carboxylate (CAS 5071-69-2), with molecular formula C20H22BrNO3 and molecular weight 403.08 g/mol. IUPAC: methyl 4-[(4-bromophenyl)methylidene]-1-cyclohexyl-2-methyl-5-oxopyrrole-3-carboxylate.
Chemical Property Profile of methyl 4-[(4-bromophenyl)methylidene]-1-cyclohexyl-2-methyl-5-oxopyrrole-3-carboxylate
Property Insights of methyl 4-[(4-bromophenyl)methylidene]-1-cyclohexyl-2-methyl-5-oxopyrrole-3-carboxylate
The XLogP value of 4.4544 indicates that methyl 4-[(4-bromophenyl)methylidene]-1-cyclohexyl-2-methyl-5-oxopyrrole-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.61 Ų, methyl 4-[(4-bromophenyl)methylidene]-1-cyclohexyl-2-methyl-5-oxopyrrole-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl 4-[(4-bromophenyl)methylidene]-1-cyclohexyl-2-methyl-5-oxopyrrole-3-carboxylate 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 methyl 4-[(4-bromophenyl)methylidene]-1-cyclohexyl-2-methyl-5-oxopyrrole-3-carboxylate?
The CAS number of methyl 4-[(4-bromophenyl)methylidene]-1-cyclohexyl-2-methyl-5-oxopyrrole-3-carboxylate is 5071-69-2.
What is the molecular formula of methyl 4-[(4-bromophenyl)methylidene]-1-cyclohexyl-2-methyl-5-oxopyrrole-3-carboxylate?
The molecular formula of methyl 4-[(4-bromophenyl)methylidene]-1-cyclohexyl-2-methyl-5-oxopyrrole-3-carboxylate is C20H22BrNO3.
What is the molecular weight of methyl 4-[(4-bromophenyl)methylidene]-1-cyclohexyl-2-methyl-5-oxopyrrole-3-carboxylate?
The molecular weight of methyl 4-[(4-bromophenyl)methylidene]-1-cyclohexyl-2-methyl-5-oxopyrrole-3-carboxylate is 403.08 g/mol.
Where can I buy methyl 4-[(4-bromophenyl)methylidene]-1-cyclohexyl-2-methyl-5-oxopyrrole-3-carboxylate?
You can request a quote for methyl 4-[(4-bromophenyl)methylidene]-1-cyclohexyl-2-methyl-5-oxopyrrole-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 4-[(4-bromophenyl)methylidene]-1-cyclohexyl-2-methyl-5-oxopyrrole-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4-[(4-bromophenyl)methylidene]-1-cyclohexyl-2-methyl-5-oxopyrrole-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.