Methyl 4-(4-methoxybenzoyl)-1H-pyrrole-2-carboxylate
TL;DR: Methyl 4-(4-methoxybenzoyl)-1H-pyrrole-2-carboxylate (CAS 478259-71-1) is a chemical compound with molecular formula C14H13NO4 and molecular weight 259.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-(4-methoxybenzoyl)-1H-pyrrole-2-carboxylate
Also Known As: Methyl 4-(4-methoxybenzoyl)-1H-pyrrole-2-carboxylate, 8R-0330, Methyl4-(4-methoxybenzoyl)-1H-pyrrole-2-carboxylate
| Molecular Formula | C14H13NO4 |
|---|---|
| Molecular Weight | 259.08 g/mol |
| LogP | 2.0409 |
| Topological Polar Surface Area | 68.39 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 259.08447 |
| Heavy Atoms | 19 |
| Complexity | 598.16345 |
Chemical Identifiers
| CAS Number | 478259-71-1 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C(=O)C2=CNC(=C2)C(=O)OC |
Product Overview
Methyl 4-(4-methoxybenzoyl)-1H-pyrrole-2-carboxylate (CAS 478259-71-1), with molecular formula C14H13NO4 and molecular weight 259.08 g/mol. IUPAC: methyl 4-(4-methoxybenzoyl)-1H-pyrrole-2-carboxylate.
Chemical Property Profile of Methyl 4-(4-methoxybenzoyl)-1H-pyrrole-2-carboxylate
Property Insights of Methyl 4-(4-methoxybenzoyl)-1H-pyrrole-2-carboxylate
The XLogP value of 2.0409 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-(4-methoxybenzoyl)-1H-pyrrole-2-carboxylate. The TPSA of 68.39 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4-(4-methoxybenzoyl)-1H-pyrrole-2-carboxylate. Following Lipinski's Rule of Five, Methyl 4-(4-methoxybenzoyl)-1H-pyrrole-2-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 4-(4-methoxybenzoyl)-1H-pyrrole-2-carboxylate?
The CAS number of Methyl 4-(4-methoxybenzoyl)-1H-pyrrole-2-carboxylate is 478259-71-1.
What is the molecular formula of Methyl 4-(4-methoxybenzoyl)-1H-pyrrole-2-carboxylate?
The molecular formula of Methyl 4-(4-methoxybenzoyl)-1H-pyrrole-2-carboxylate is C14H13NO4.
What is the molecular weight of Methyl 4-(4-methoxybenzoyl)-1H-pyrrole-2-carboxylate?
The molecular weight of Methyl 4-(4-methoxybenzoyl)-1H-pyrrole-2-carboxylate is 259.08 g/mol.
Where can I buy Methyl 4-(4-methoxybenzoyl)-1H-pyrrole-2-carboxylate?
You can request a quote for Methyl 4-(4-methoxybenzoyl)-1H-pyrrole-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-(4-methoxybenzoyl)-1H-pyrrole-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-(4-methoxybenzoyl)-1H-pyrrole-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.