methyl 1-(4-chlorophenyl)-5-methyl-2-oxo-3H-pyrrole-4-carboxylate
TL;DR: methyl 1-(4-chlorophenyl)-5-methyl-2-oxo-3H-pyrrole-4-carboxylate (CAS 77867-46-0) is a chemical compound with molecular formula C13H12ClNO3 and molecular weight 265.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 1-(4-chlorophenyl)-5-methyl-2-oxo-3H-pyrrole-4-carboxylate
Also Known As: BAS 03105925, AB00110092-01, METHYL 1-(4-CHLOROPHENYL)-2-METHYL-5-OXO-4,5-DIHYDRO-1H-PYRROLE-3-CARBOXYLATE, Methyl 1-(4-chlorophenyl)-4,5-dihydro-2-methyl-5-oxo-1H-pyrrole-3-carboxylate, methyl 1-(4-chlorophenyl)-5-methyl-2-oxo-3H-pyrrole-4-carboxylate
| Molecular Formula | C13H12ClNO3 |
|---|---|
| Molecular Weight | 265.05 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 46.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 265.05057 |
| Heavy Atoms | 18 |
| Complexity | 397.0 |
Chemical Identifiers
| CAS Number | 77867-46-0 |
|---|---|
| SMILES | CC1=C(CC(=O)N1C2=CC=C(C=C2)Cl)C(=O)OC |
| InChIKey | WCRQPRYZECPHBR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
methyl 1-(4-chlorophenyl)-5-methyl-2-oxo-3H-pyrrole-4-carboxylate (CAS 77867-46-0), with molecular formula C13H12ClNO3 and molecular weight 265.05 g/mol. IUPAC: methyl 1-(4-chlorophenyl)-5-methyl-2-oxo-3H-pyrrole-4-carboxylate.
Chemical Property Profile of methyl 1-(4-chlorophenyl)-5-methyl-2-oxo-3H-pyrrole-4-carboxylate
Property Insights of methyl 1-(4-chlorophenyl)-5-methyl-2-oxo-3H-pyrrole-4-carboxylate
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 1-(4-chlorophenyl)-5-methyl-2-oxo-3H-pyrrole-4-carboxylate. With a topological polar surface area (TPSA) of 46.6 Ų, methyl 1-(4-chlorophenyl)-5-methyl-2-oxo-3H-pyrrole-4-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl 1-(4-chlorophenyl)-5-methyl-2-oxo-3H-pyrrole-4-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-(4-chlorophenyl)-5-methyl-2-oxo-3H-pyrrole-4-carboxylate?
The CAS number of methyl 1-(4-chlorophenyl)-5-methyl-2-oxo-3H-pyrrole-4-carboxylate is 77867-46-0.
What is the molecular formula of methyl 1-(4-chlorophenyl)-5-methyl-2-oxo-3H-pyrrole-4-carboxylate?
The molecular formula of methyl 1-(4-chlorophenyl)-5-methyl-2-oxo-3H-pyrrole-4-carboxylate is C13H12ClNO3.
What is the molecular weight of methyl 1-(4-chlorophenyl)-5-methyl-2-oxo-3H-pyrrole-4-carboxylate?
The molecular weight of methyl 1-(4-chlorophenyl)-5-methyl-2-oxo-3H-pyrrole-4-carboxylate is 265.05 g/mol.
Where can I buy methyl 1-(4-chlorophenyl)-5-methyl-2-oxo-3H-pyrrole-4-carboxylate?
You can request a quote for methyl 1-(4-chlorophenyl)-5-methyl-2-oxo-3H-pyrrole-4-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-(4-chlorophenyl)-5-methyl-2-oxo-3H-pyrrole-4-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 1-(4-chlorophenyl)-5-methyl-2-oxo-3H-pyrrole-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.