2-(4-methoxybenzyl) 4-methyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate
TL;DR: 2-(4-methoxybenzyl) 4-methyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate (CAS 300588-23-2) is a chemical compound with molecular formula C17H19NO5 and molecular weight 317.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-O-[(4-methoxyphenyl)methyl] 4-O-methyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate
Also Known As: 2-(4-methoxybenzyl) 4-methyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate, 2-O-[(4-methoxyphenyl)methyl] 4-O-methyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate
| Molecular Formula | C17H19NO5 |
|---|---|
| Molecular Weight | 317.13 g/mol |
| LogP | 2.78374 |
| Topological Polar Surface Area | 77.62 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 317.1263 |
| Heavy Atoms | 23 |
| Complexity | 715.33014 |
Chemical Identifiers
| CAS Number | 300588-23-2 |
|---|---|
| SMILES | CC1=C(NC(=C1C(=O)OC)C)C(=O)OCC2=CC=C(C=C2)OC |
Product Overview
2-(4-methoxybenzyl) 4-methyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate (CAS 300588-23-2), with molecular formula C17H19NO5 and molecular weight 317.13 g/mol. IUPAC: 2-O-[(4-methoxyphenyl)methyl] 4-O-methyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate.
Chemical Property Profile of 2-(4-methoxybenzyl) 4-methyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate
Property Insights of 2-(4-methoxybenzyl) 4-methyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate
The XLogP value of 2.78374 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4-methoxybenzyl) 4-methyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate. The TPSA of 77.62 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-methoxybenzyl) 4-methyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate. Following Lipinski's Rule of Five, 2-(4-methoxybenzyl) 4-methyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate has 1 hydrogen bond donor(s) and 5 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 2-(4-methoxybenzyl) 4-methyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate?
The CAS number of 2-(4-methoxybenzyl) 4-methyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate is 300588-23-2.
What is the molecular formula of 2-(4-methoxybenzyl) 4-methyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate?
The molecular formula of 2-(4-methoxybenzyl) 4-methyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate is C17H19NO5.
What is the molecular weight of 2-(4-methoxybenzyl) 4-methyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate?
The molecular weight of 2-(4-methoxybenzyl) 4-methyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate is 317.13 g/mol.
Where can I buy 2-(4-methoxybenzyl) 4-methyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate?
You can request a quote for 2-(4-methoxybenzyl) 4-methyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-methoxybenzyl) 4-methyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-methoxybenzyl) 4-methyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.