![methyl (4Z)-1-[2-(cyclohex-1-en-1-yl)ethyl]-2-methyl-5-oxo-4-[(thiophen-2-yl)methylidene]-4,5-dihydro-1H-pyrrole-3-carboxylate structure](/static/products/4732/473221-31-7.webp)
methyl (4Z)-1-[2-(cyclohex-1-en-1-yl)ethyl]-2-methyl-5-oxo-4-[(thiophen-2-yl)methylidene]-4,5-dihydro-1H-pyrrole-3-carboxylate
TL;DR: methyl (4Z)-1-[2-(cyclohex-1-en-1-yl)ethyl]-2-methyl-5-oxo-4-[(thiophen-2-yl)methylidene]-4,5-dihydro-1H-pyrrole-3-carboxylate (CAS 473221-31-7) is a chemical compound with molecular formula C20H23NO3S and molecular weight 357.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 1-[2-(cyclohexen-1-yl)ethyl]-2-methyl-5-oxo-4-(thiophen-2-ylmethylidene)pyrrole-3-carboxylate
Also Known As: methyl (4Z)-1-[2-(cyclohex-1-en-1-yl)ethyl]-2-methyl-5-oxo-4-[(thiophen-2-yl)methylidene]-4,5-dihydro-1H-pyrrole-3-carboxylate, methyl 1-[2-(cyclohexen-1-yl)ethyl]-2-methyl-5-oxo-4-(thiophen-2-ylmethylidene)pyrrole-3-carboxylate
| Molecular Formula | C20H23NO3S |
|---|---|
| Molecular Weight | 357.14 g/mol |
| LogP | 4.3112 |
| Topological Polar Surface Area | 46.61 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 357.13986 |
| Heavy Atoms | 25 |
| Complexity | 755.91406 |
Chemical Identifiers
| CAS Number | 473221-31-7 |
|---|---|
| SMILES | CC1=C(C(=CC2=CC=CS2)C(=O)N1CCC3=CCCCC3)C(=O)OC |
Product Overview
methyl (4Z)-1-[2-(cyclohex-1-en-1-yl)ethyl]-2-methyl-5-oxo-4-[(thiophen-2-yl)methylidene]-4,5-dihydro-1H-pyrrole-3-carboxylate (CAS 473221-31-7), with molecular formula C20H23NO3S and molecular weight 357.14 g/mol. IUPAC: methyl 1-[2-(cyclohexen-1-yl)ethyl]-2-methyl-5-oxo-4-(thiophen-2-ylmethylidene)pyrrole-3-carboxylate.
Chemical Property Profile of methyl (4Z)-1-[2-(cyclohex-1-en-1-yl)ethyl]-2-methyl-5-oxo-4-[(thiophen-2-yl)methylidene]-4,5-dihydro-1H-pyrrole-3-carboxylate
Property Insights of methyl (4Z)-1-[2-(cyclohex-1-en-1-yl)ethyl]-2-methyl-5-oxo-4-[(thiophen-2-yl)methylidene]-4,5-dihydro-1H-pyrrole-3-carboxylate
The XLogP value of 4.3112 indicates that methyl (4Z)-1-[2-(cyclohex-1-en-1-yl)ethyl]-2-methyl-5-oxo-4-[(thiophen-2-yl)methylidene]-4,5-dihydro-1H-pyrrole-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 (4Z)-1-[2-(cyclohex-1-en-1-yl)ethyl]-2-methyl-5-oxo-4-[(thiophen-2-yl)methylidene]-4,5-dihydro-1H-pyrrole-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl (4Z)-1-[2-(cyclohex-1-en-1-yl)ethyl]-2-methyl-5-oxo-4-[(thiophen-2-yl)methylidene]-4,5-dihydro-1H-pyrrole-3-carboxylate has 0 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 methyl (4Z)-1-[2-(cyclohex-1-en-1-yl)ethyl]-2-methyl-5-oxo-4-[(thiophen-2-yl)methylidene]-4,5-dihydro-1H-pyrrole-3-carboxylate?
The CAS number of methyl (4Z)-1-[2-(cyclohex-1-en-1-yl)ethyl]-2-methyl-5-oxo-4-[(thiophen-2-yl)methylidene]-4,5-dihydro-1H-pyrrole-3-carboxylate is 473221-31-7.
What is the molecular formula of methyl (4Z)-1-[2-(cyclohex-1-en-1-yl)ethyl]-2-methyl-5-oxo-4-[(thiophen-2-yl)methylidene]-4,5-dihydro-1H-pyrrole-3-carboxylate?
The molecular formula of methyl (4Z)-1-[2-(cyclohex-1-en-1-yl)ethyl]-2-methyl-5-oxo-4-[(thiophen-2-yl)methylidene]-4,5-dihydro-1H-pyrrole-3-carboxylate is C20H23NO3S.
What is the molecular weight of methyl (4Z)-1-[2-(cyclohex-1-en-1-yl)ethyl]-2-methyl-5-oxo-4-[(thiophen-2-yl)methylidene]-4,5-dihydro-1H-pyrrole-3-carboxylate?
The molecular weight of methyl (4Z)-1-[2-(cyclohex-1-en-1-yl)ethyl]-2-methyl-5-oxo-4-[(thiophen-2-yl)methylidene]-4,5-dihydro-1H-pyrrole-3-carboxylate is 357.14 g/mol.
Where can I buy methyl (4Z)-1-[2-(cyclohex-1-en-1-yl)ethyl]-2-methyl-5-oxo-4-[(thiophen-2-yl)methylidene]-4,5-dihydro-1H-pyrrole-3-carboxylate?
You can request a quote for methyl (4Z)-1-[2-(cyclohex-1-en-1-yl)ethyl]-2-methyl-5-oxo-4-[(thiophen-2-yl)methylidene]-4,5-dihydro-1H-pyrrole-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 (4Z)-1-[2-(cyclohex-1-en-1-yl)ethyl]-2-methyl-5-oxo-4-[(thiophen-2-yl)methylidene]-4,5-dihydro-1H-pyrrole-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl (4Z)-1-[2-(cyclohex-1-en-1-yl)ethyl]-2-methyl-5-oxo-4-[(thiophen-2-yl)methylidene]-4,5-dihydro-1H-pyrrole-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.