methyl 2,5-dimethyl-4-(3-nitrophenyl)-1H-pyrrole-3-carboxylate
TL;DR: methyl 2,5-dimethyl-4-(3-nitrophenyl)-1H-pyrrole-3-carboxylate (CAS 312271-10-6) is a chemical compound with molecular formula C14H14N2O4 and molecular weight 274.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2,5-dimethyl-4-(3-nitrophenyl)-1H-pyrrole-3-carboxylate
Also Known As: methyl 2,5-dimethyl-4-(3-nitrophenyl)-1H-pyrrole-3-carboxylate, 1H-Pyrrole-3-carboxylicacid,2,5-dimethyl-4- -,methylester, A1116/0052436, Methyl 4-(3-nitrophenyl)-2,5-dimethyl-1H-pyrrole-3-carboxylate, methyl 4-{3-nitrophenyl}-2,5-dimethyl-1H-pyrrole-3-carboxylate
| Molecular Formula | C14H14N2O4 |
|---|---|
| Molecular Weight | 274.10 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 87.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 274.09537 |
| Heavy Atoms | 20 |
| Complexity | 382.0 |
Chemical Identifiers
| CAS Number | 312271-10-6 |
|---|---|
| SMILES | CC1=C(C(=C(N1)C)C(=O)OC)C2=CC(=CC=C2)[N+](=O)[O-] |
| InChIKey | ZNMYJAWCHLEZMB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
methyl 2,5-dimethyl-4-(3-nitrophenyl)-1H-pyrrole-3-carboxylate (CAS 312271-10-6), with molecular formula C14H14N2O4 and molecular weight 274.10 g/mol. IUPAC: methyl 2,5-dimethyl-4-(3-nitrophenyl)-1H-pyrrole-3-carboxylate.
Chemical Property Profile of methyl 2,5-dimethyl-4-(3-nitrophenyl)-1H-pyrrole-3-carboxylate
Property Insights of methyl 2,5-dimethyl-4-(3-nitrophenyl)-1H-pyrrole-3-carboxylate
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 2,5-dimethyl-4-(3-nitrophenyl)-1H-pyrrole-3-carboxylate. The TPSA of 87.9 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 2,5-dimethyl-4-(3-nitrophenyl)-1H-pyrrole-3-carboxylate. Following Lipinski's Rule of Five, methyl 2,5-dimethyl-4-(3-nitrophenyl)-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 2,5-dimethyl-4-(3-nitrophenyl)-1H-pyrrole-3-carboxylate?
The CAS number of methyl 2,5-dimethyl-4-(3-nitrophenyl)-1H-pyrrole-3-carboxylate is 312271-10-6.
What is the molecular formula of methyl 2,5-dimethyl-4-(3-nitrophenyl)-1H-pyrrole-3-carboxylate?
The molecular formula of methyl 2,5-dimethyl-4-(3-nitrophenyl)-1H-pyrrole-3-carboxylate is C14H14N2O4.
What is the molecular weight of methyl 2,5-dimethyl-4-(3-nitrophenyl)-1H-pyrrole-3-carboxylate?
The molecular weight of methyl 2,5-dimethyl-4-(3-nitrophenyl)-1H-pyrrole-3-carboxylate is 274.10 g/mol.
Where can I buy methyl 2,5-dimethyl-4-(3-nitrophenyl)-1H-pyrrole-3-carboxylate?
You can request a quote for methyl 2,5-dimethyl-4-(3-nitrophenyl)-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 2,5-dimethyl-4-(3-nitrophenyl)-1H-pyrrole-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2,5-dimethyl-4-(3-nitrophenyl)-1H-pyrrole-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.