![methyl 1-[2-(3,4-dimethoxyphenyl)ethyl]-5-formyl-4-(4-isopropylphenyl)-2-methyl-1H-pyrrole-3-carboxylate structure](/static/products/881/881041-67-4.png)
methyl 1-[2-(3,4-dimethoxyphenyl)ethyl]-5-formyl-4-(4-isopropylphenyl)-2-methyl-1H-pyrrole-3-carboxylate
TL;DR: methyl 1-[2-(3,4-dimethoxyphenyl)ethyl]-5-formyl-4-(4-isopropylphenyl)-2-methyl-1H-pyrrole-3-carboxylate (CAS 881041-67-4) is a chemical compound with molecular formula C27H31NO5 and molecular weight 449.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 1-[2-(3,4-dimethoxyphenyl)ethyl]-5-formyl-2-methyl-4-(4-propan-2-ylphenyl)pyrrole-3-carboxylate
Also Known As: methyl 1-[2-(3,4-dimethoxyphenyl)ethyl]-5-formyl-4-(4-isopropylphenyl)-2-methyl-1H-pyrrole-3-carboxylate, Methyl 1-(3,4-dimethoxyphenethyl)-5-formyl-4-(4-isopropylphenyl)-2-methyl-1H-pyrrole-3-carboxylate, methyl 1-[2-(3,4-dimethoxyphenyl)ethyl]-5-formyl-2-methyl-4-(4-propan-2-ylphenyl)pyrrole-3-carboxylate, Methyl 1-[2-(3,4-dimethoxyphenyl)ethyl]-5-formyl-2-methyl-4-[4-(1-methylethyl)phenyl]-1H-pyrrole-3-carboxylate
| Molecular Formula | C27H31NO5 |
|---|---|
| Molecular Weight | 449.22 g/mol |
| LogP | 5.44592 |
| Topological Polar Surface Area | 66.76 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 449.2202 |
| Heavy Atoms | 33 |
| Complexity | 1142.3087 |
Chemical Identifiers
| CAS Number | 881041-67-4 |
|---|---|
| SMILES | CC1=C(C(=C(N1CCC2=CC(=C(C=C2)OC)OC)C=O)C3=CC=C(C=C3)C(C)C)C(=O)OC |
Product Overview
methyl 1-[2-(3,4-dimethoxyphenyl)ethyl]-5-formyl-4-(4-isopropylphenyl)-2-methyl-1H-pyrrole-3-carboxylate (CAS 881041-67-4), with molecular formula C27H31NO5 and molecular weight 449.22 g/mol. IUPAC: methyl 1-[2-(3,4-dimethoxyphenyl)ethyl]-5-formyl-2-methyl-4-(4-propan-2-ylphenyl)pyrrole-3-carboxylate.
Chemical Property Profile of methyl 1-[2-(3,4-dimethoxyphenyl)ethyl]-5-formyl-4-(4-isopropylphenyl)-2-methyl-1H-pyrrole-3-carboxylate
Property Insights of methyl 1-[2-(3,4-dimethoxyphenyl)ethyl]-5-formyl-4-(4-isopropylphenyl)-2-methyl-1H-pyrrole-3-carboxylate
The XLogP value of 5.44592 indicates that methyl 1-[2-(3,4-dimethoxyphenyl)ethyl]-5-formyl-4-(4-isopropylphenyl)-2-methyl-1H-pyrrole-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.76 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 1-[2-(3,4-dimethoxyphenyl)ethyl]-5-formyl-4-(4-isopropylphenyl)-2-methyl-1H-pyrrole-3-carboxylate. Following Lipinski's Rule of Five, methyl 1-[2-(3,4-dimethoxyphenyl)ethyl]-5-formyl-4-(4-isopropylphenyl)-2-methyl-1H-pyrrole-3-carboxylate has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of methyl 1-[2-(3,4-dimethoxyphenyl)ethyl]-5-formyl-4-(4-isopropylphenyl)-2-methyl-1H-pyrrole-3-carboxylate?
The CAS number of methyl 1-[2-(3,4-dimethoxyphenyl)ethyl]-5-formyl-4-(4-isopropylphenyl)-2-methyl-1H-pyrrole-3-carboxylate is 881041-67-4.
What is the molecular formula of methyl 1-[2-(3,4-dimethoxyphenyl)ethyl]-5-formyl-4-(4-isopropylphenyl)-2-methyl-1H-pyrrole-3-carboxylate?
The molecular formula of methyl 1-[2-(3,4-dimethoxyphenyl)ethyl]-5-formyl-4-(4-isopropylphenyl)-2-methyl-1H-pyrrole-3-carboxylate is C27H31NO5.
What is the molecular weight of methyl 1-[2-(3,4-dimethoxyphenyl)ethyl]-5-formyl-4-(4-isopropylphenyl)-2-methyl-1H-pyrrole-3-carboxylate?
The molecular weight of methyl 1-[2-(3,4-dimethoxyphenyl)ethyl]-5-formyl-4-(4-isopropylphenyl)-2-methyl-1H-pyrrole-3-carboxylate is 449.22 g/mol.
Where can I buy methyl 1-[2-(3,4-dimethoxyphenyl)ethyl]-5-formyl-4-(4-isopropylphenyl)-2-methyl-1H-pyrrole-3-carboxylate?
You can request a quote for methyl 1-[2-(3,4-dimethoxyphenyl)ethyl]-5-formyl-4-(4-isopropylphenyl)-2-methyl-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 1-[2-(3,4-dimethoxyphenyl)ethyl]-5-formyl-4-(4-isopropylphenyl)-2-methyl-1H-pyrrole-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 1-[2-(3,4-dimethoxyphenyl)ethyl]-5-formyl-4-(4-isopropylphenyl)-2-methyl-1H-pyrrole-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.