methyl 2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
TL;DR: methyl 2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate (CAS 138313-71-0) is a chemical compound with molecular formula C7H9NO3 and molecular weight 155.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-methyl-2-oxo-1,3-dihydropyrrole-4-carboxylate
Also Known As: methyl 2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate, BAS 03167797, methyl 2-methyl-5-oxo-2-pyrroline-3-carboxylate, methyl 5-methyl-2-oxo-1,3-dihydropyrrole-4-carboxylate, 1L-045
| Molecular Formula | C7H9NO3 |
|---|---|
| Molecular Weight | 155.06 g/mol |
| LogP | -0.4 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 155.05824 |
| Heavy Atoms | 11 |
| Complexity | 242.0 |
Chemical Identifiers
| CAS Number | 138313-71-0 |
|---|---|
| SMILES | CC1=C(CC(=O)N1)C(=O)OC |
| InChIKey | MIOWHNMUNHLDDK-UHFFFAOYSA-N |
Product Overview
methyl 2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate (CAS 138313-71-0), with molecular formula C7H9NO3 and molecular weight 155.06 g/mol. IUPAC: methyl 5-methyl-2-oxo-1,3-dihydropyrrole-4-carboxylate.
Chemical Property Profile of methyl 2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
Property Insights of methyl 2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
The XLogP value of -0.4 indicates that methyl 2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 55.4 Ų, methyl 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 2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate 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 2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate?
The CAS number of methyl 2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate is 138313-71-0.
What is the molecular formula of methyl 2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate?
The molecular formula of methyl 2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate is C7H9NO3.
What is the molecular weight of methyl 2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate?
The molecular weight of methyl 2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate is 155.06 g/mol.
Where can I buy methyl 2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate?
You can request a quote for methyl 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 2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 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.