methyl 1-cyclohexyl-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
TL;DR: methyl 1-cyclohexyl-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate (CAS 77867-50-6) is a chemical compound with molecular formula C13H19NO3 and molecular weight 237.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 1-cyclohexyl-5-methyl-2-oxo-3H-pyrrole-4-carboxylate
Also Known As: BAS 05433388, AH-487/11534368, methyl 1-cyclohexyl-5-methyl-2-oxo-3H-pyrrole-4-carboxylate, methyl 1-cyclohexyl-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate, methyl 1-cyclohexyl-2-methyl-5-oxo-2-pyrroline-3-carboxylate
| Molecular Formula | C13H19NO3 |
|---|---|
| Molecular Weight | 237.14 g/mol |
| LogP | 1.9984 |
| Topological Polar Surface Area | 46.61 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 237.13649 |
| Heavy Atoms | 17 |
| Complexity | 366.86087 |
Chemical Identifiers
| CAS Number | 77867-50-6 |
|---|---|
| SMILES | CC1=C(CC(=O)N1C2CCCCC2)C(=O)OC |
Product Overview
methyl 1-cyclohexyl-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate (CAS 77867-50-6), with molecular formula C13H19NO3 and molecular weight 237.14 g/mol. IUPAC: methyl 1-cyclohexyl-5-methyl-2-oxo-3H-pyrrole-4-carboxylate.
Chemical Property Profile of methyl 1-cyclohexyl-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
Property Insights of methyl 1-cyclohexyl-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
The XLogP value of 1.9984 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 1-cyclohexyl-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate. With a topological polar surface area (TPSA) of 46.61 Ų, methyl 1-cyclohexyl-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-cyclohexyl-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-cyclohexyl-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate?
The CAS number of methyl 1-cyclohexyl-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate is 77867-50-6.
What is the molecular formula of methyl 1-cyclohexyl-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate?
The molecular formula of methyl 1-cyclohexyl-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate is C13H19NO3.
What is the molecular weight of methyl 1-cyclohexyl-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate?
The molecular weight of methyl 1-cyclohexyl-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate is 237.14 g/mol.
Where can I buy methyl 1-cyclohexyl-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate?
You can request a quote for methyl 1-cyclohexyl-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-cyclohexyl-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 1-cyclohexyl-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.