diethyl 2,5-dimethyl-1-(3,4,5-trimethoxybenzyl)-1H-pyrrole-3,4-dicarboxylate
TL;DR: diethyl 2,5-dimethyl-1-(3,4,5-trimethoxybenzyl)-1H-pyrrole-3,4-dicarboxylate (CAS 372091-65-1) is a chemical compound with molecular formula C22H29NO7 and molecular weight 419.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2,5-dimethyl-1-[(3,4,5-trimethoxyphenyl)methyl]pyrrole-3,4-dicarboxylate
Also Known As: 2,5-Dimethyl-1-(3,4,5-trimethoxy-benzyl)-1H-pyrrole-3,4-dicarboxylic acid diethyl ester, diethyl 2,5-dimethyl-1-(3,4,5-trimethoxybenzyl)-1H-pyrrole-3,4-dicarboxylate, diethyl 2,5-dimethyl-1-[(3,4,5-trimethoxyphenyl)methyl]pyrrole-3,4-dicarboxylate
| Molecular Formula | C22H29NO7 |
|---|---|
| Molecular Weight | 419.19 g/mol |
| LogP | 3.53244 |
| Topological Polar Surface Area | 85.22 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 419.1944 |
| Heavy Atoms | 30 |
| Complexity | 863.5477 |
Chemical Identifiers
| CAS Number | 372091-65-1 |
|---|---|
| SMILES | CCOC(=O)C1=C(N(C(=C1C(=O)OCC)C)CC2=CC(=C(C(=C2)OC)OC)OC)C |
Product Overview
diethyl 2,5-dimethyl-1-(3,4,5-trimethoxybenzyl)-1H-pyrrole-3,4-dicarboxylate (CAS 372091-65-1), with molecular formula C22H29NO7 and molecular weight 419.19 g/mol. IUPAC: diethyl 2,5-dimethyl-1-[(3,4,5-trimethoxyphenyl)methyl]pyrrole-3,4-dicarboxylate.
Chemical Property Profile of diethyl 2,5-dimethyl-1-(3,4,5-trimethoxybenzyl)-1H-pyrrole-3,4-dicarboxylate
Property Insights of diethyl 2,5-dimethyl-1-(3,4,5-trimethoxybenzyl)-1H-pyrrole-3,4-dicarboxylate
The XLogP value of 3.53244 indicates that diethyl 2,5-dimethyl-1-(3,4,5-trimethoxybenzyl)-1H-pyrrole-3,4-dicarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.22 Ų falls within the moderate polarity range, balancing permeability and solubility for diethyl 2,5-dimethyl-1-(3,4,5-trimethoxybenzyl)-1H-pyrrole-3,4-dicarboxylate. Following Lipinski's Rule of Five, diethyl 2,5-dimethyl-1-(3,4,5-trimethoxybenzyl)-1H-pyrrole-3,4-dicarboxylate has 0 hydrogen bond donor(s) and 7 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 diethyl 2,5-dimethyl-1-(3,4,5-trimethoxybenzyl)-1H-pyrrole-3,4-dicarboxylate?
The CAS number of diethyl 2,5-dimethyl-1-(3,4,5-trimethoxybenzyl)-1H-pyrrole-3,4-dicarboxylate is 372091-65-1.
What is the molecular formula of diethyl 2,5-dimethyl-1-(3,4,5-trimethoxybenzyl)-1H-pyrrole-3,4-dicarboxylate?
The molecular formula of diethyl 2,5-dimethyl-1-(3,4,5-trimethoxybenzyl)-1H-pyrrole-3,4-dicarboxylate is C22H29NO7.
What is the molecular weight of diethyl 2,5-dimethyl-1-(3,4,5-trimethoxybenzyl)-1H-pyrrole-3,4-dicarboxylate?
The molecular weight of diethyl 2,5-dimethyl-1-(3,4,5-trimethoxybenzyl)-1H-pyrrole-3,4-dicarboxylate is 419.19 g/mol.
Where can I buy diethyl 2,5-dimethyl-1-(3,4,5-trimethoxybenzyl)-1H-pyrrole-3,4-dicarboxylate?
You can request a quote for diethyl 2,5-dimethyl-1-(3,4,5-trimethoxybenzyl)-1H-pyrrole-3,4-dicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for diethyl 2,5-dimethyl-1-(3,4,5-trimethoxybenzyl)-1H-pyrrole-3,4-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for diethyl 2,5-dimethyl-1-(3,4,5-trimethoxybenzyl)-1H-pyrrole-3,4-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.