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methyl 4-[(dimethylamino)methylidene]-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
TL;DR: methyl 4-[(dimethylamino)methylidene]-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate (CAS 477865-31-9) is a chemical compound with molecular formula C10H14N2O3 and molecular weight 210.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-(dimethylaminomethylidene)-2-methyl-5-oxo-1H-pyrrole-3-carboxylate
Also Known As: methyl 4-[(dimethylamino)methylidene]-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate, methyl 4-[(dimethylamino)methylene]-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate, methyl (4Z)-4-[(dimethylamino)methylidene]-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate, methyl 4-(dimethylaminomethylidene)-2-methyl-5-oxo-1H-pyrrole-3-carboxylate
| Molecular Formula | C10H14N2O3 |
|---|---|
| Molecular Weight | 210.10 g/mol |
| LogP | 0.0087 |
| Topological Polar Surface Area | 58.64 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 210.10045 |
| Heavy Atoms | 15 |
| Complexity | 366.8638 |
Chemical Identifiers
| CAS Number | 477865-31-9 |
|---|---|
| SMILES | CC1=C(C(=CN(C)C)C(=O)N1)C(=O)OC |
Product Overview
methyl 4-[(dimethylamino)methylidene]-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate (CAS 477865-31-9), with molecular formula C10H14N2O3 and molecular weight 210.10 g/mol. IUPAC: methyl 4-(dimethylaminomethylidene)-2-methyl-5-oxo-1H-pyrrole-3-carboxylate.
Chemical Property Profile of methyl 4-[(dimethylamino)methylidene]-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
Property Insights of methyl 4-[(dimethylamino)methylidene]-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
The XLogP value of 0.0087 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 4-[(dimethylamino)methylidene]-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate. With a topological polar surface area (TPSA) of 58.64 Ų, methyl 4-[(dimethylamino)methylidene]-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl 4-[(dimethylamino)methylidene]-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate has 1 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 4-[(dimethylamino)methylidene]-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate?
The CAS number of methyl 4-[(dimethylamino)methylidene]-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate is 477865-31-9.
What is the molecular formula of methyl 4-[(dimethylamino)methylidene]-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate?
The molecular formula of methyl 4-[(dimethylamino)methylidene]-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate is C10H14N2O3.
What is the molecular weight of methyl 4-[(dimethylamino)methylidene]-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate?
The molecular weight of methyl 4-[(dimethylamino)methylidene]-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate is 210.10 g/mol.
Where can I buy methyl 4-[(dimethylamino)methylidene]-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate?
You can request a quote for methyl 4-[(dimethylamino)methylidene]-2-methyl-5-oxo-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 4-[(dimethylamino)methylidene]-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4-[(dimethylamino)methylidene]-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.