methyl 1-benzyl-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
TL;DR: methyl 1-benzyl-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate (CAS 77867-49-3) is a chemical compound with molecular formula C14H15NO3 and molecular weight 245.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 1-benzyl-5-methyl-2-oxo-3H-pyrrole-4-carboxylate
Also Known As: methyl 1-benzyl-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate, BAS 03171657, methyl 1-benzyl-5-methyl-2-oxo-3H-pyrrole-4-carboxylate, 6H-025, 1-Benzyl-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylic acid methyl ester
| Molecular Formula | C14H15NO3 |
|---|---|
| Molecular Weight | 245.11 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 46.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 245.1052 |
| Heavy Atoms | 18 |
| Complexity | 381.0 |
Chemical Identifiers
| CAS Number | 77867-49-3 |
|---|---|
| SMILES | CC1=C(CC(=O)N1CC2=CC=CC=C2)C(=O)OC |
| InChIKey | ORIPNIQPGGPXCK-UHFFFAOYSA-N |
Product Overview
methyl 1-benzyl-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate (CAS 77867-49-3), with molecular formula C14H15NO3 and molecular weight 245.11 g/mol. IUPAC: methyl 1-benzyl-5-methyl-2-oxo-3H-pyrrole-4-carboxylate.
Chemical Property Profile of methyl 1-benzyl-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
Property Insights of methyl 1-benzyl-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 1-benzyl-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate. With a topological polar surface area (TPSA) of 46.6 Ų, methyl 1-benzyl-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 1-benzyl-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-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 1-benzyl-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate?
The CAS number of methyl 1-benzyl-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate is 77867-49-3.
What is the molecular formula of methyl 1-benzyl-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate?
The molecular formula of methyl 1-benzyl-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate is C14H15NO3.
What is the molecular weight of methyl 1-benzyl-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate?
The molecular weight of methyl 1-benzyl-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate is 245.11 g/mol.
Where can I buy methyl 1-benzyl-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate?
You can request a quote for methyl 1-benzyl-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 1-benzyl-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 1-benzyl-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.