Methyl 5-formyl-4-(4-isopropylphenyl)-1,2-dimethyl-1H-pyrrole-3-carboxylate
TL;DR: Methyl 5-formyl-4-(4-isopropylphenyl)-1,2-dimethyl-1H-pyrrole-3-carboxylate (CAS 881041-59-4) is a chemical compound with molecular formula C18H21NO3 and molecular weight 299.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-formyl-1,2-dimethyl-4-(4-propan-2-ylphenyl)pyrrole-3-carboxylate
Also Known As: METHYL 5-FORMYL-4-(4-ISOPROPYLPHENYL)-1,2-DIMETHYL-1H-PYRROLE-3-CARBOXYLATE, methyl 5-formyl-1,2-dimethyl-4-(4-propan-2-ylphenyl)pyrrole-3-carboxylate
| Molecular Formula | C18H21NO3 |
|---|---|
| Molecular Weight | 299.15 g/mol |
| LogP | 3.72302 |
| Topological Polar Surface Area | 48.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 299.15213 |
| Heavy Atoms | 22 |
| Complexity | 708.92377 |
Chemical Identifiers
| CAS Number | 881041-59-4 |
|---|---|
| SMILES | CC1=C(C(=C(N1C)C=O)C2=CC=C(C=C2)C(C)C)C(=O)OC |
Product Overview
Methyl 5-formyl-4-(4-isopropylphenyl)-1,2-dimethyl-1H-pyrrole-3-carboxylate (CAS 881041-59-4), with molecular formula C18H21NO3 and molecular weight 299.15 g/mol. IUPAC: methyl 5-formyl-1,2-dimethyl-4-(4-propan-2-ylphenyl)pyrrole-3-carboxylate.
Chemical Property Profile of Methyl 5-formyl-4-(4-isopropylphenyl)-1,2-dimethyl-1H-pyrrole-3-carboxylate
Property Insights of Methyl 5-formyl-4-(4-isopropylphenyl)-1,2-dimethyl-1H-pyrrole-3-carboxylate
The XLogP value of 3.72302 indicates that Methyl 5-formyl-4-(4-isopropylphenyl)-1,2-dimethyl-1H-pyrrole-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 48.3 Ų, Methyl 5-formyl-4-(4-isopropylphenyl)-1,2-dimethyl-1H-pyrrole-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 5-formyl-4-(4-isopropylphenyl)-1,2-dimethyl-1H-pyrrole-3-carboxylate has 0 hydrogen bond donor(s) and 3 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 5-formyl-4-(4-isopropylphenyl)-1,2-dimethyl-1H-pyrrole-3-carboxylate?
The CAS number of Methyl 5-formyl-4-(4-isopropylphenyl)-1,2-dimethyl-1H-pyrrole-3-carboxylate is 881041-59-4.
What is the molecular formula of Methyl 5-formyl-4-(4-isopropylphenyl)-1,2-dimethyl-1H-pyrrole-3-carboxylate?
The molecular formula of Methyl 5-formyl-4-(4-isopropylphenyl)-1,2-dimethyl-1H-pyrrole-3-carboxylate is C18H21NO3.
What is the molecular weight of Methyl 5-formyl-4-(4-isopropylphenyl)-1,2-dimethyl-1H-pyrrole-3-carboxylate?
The molecular weight of Methyl 5-formyl-4-(4-isopropylphenyl)-1,2-dimethyl-1H-pyrrole-3-carboxylate is 299.15 g/mol.
Where can I buy Methyl 5-formyl-4-(4-isopropylphenyl)-1,2-dimethyl-1H-pyrrole-3-carboxylate?
You can request a quote for Methyl 5-formyl-4-(4-isopropylphenyl)-1,2-dimethyl-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 5-formyl-4-(4-isopropylphenyl)-1,2-dimethyl-1H-pyrrole-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 5-formyl-4-(4-isopropylphenyl)-1,2-dimethyl-1H-pyrrole-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.