4,4'-Methylenebis(3,5-dimethyl-1H-pyrrole-2-carboxylic acid) diethyl ester
TL;DR: 4,4'-Methylenebis(3,5-dimethyl-1H-pyrrole-2-carboxylic acid) diethyl ester (CAS 6285-54-7) is a chemical compound with molecular formula C19H26N2O4 and molecular weight 346.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[(5-ethoxycarbonyl-2,4-dimethyl-1H-pyrrol-3-yl)methyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
Also Known As: BAS 00428355, J1.498.154C, 4,4'-Methylenebis(3,5-dimethyl-1H-pyrrole-2-carboxylic acid) diethyl ester, ethyl 4-[(5-ethoxycarbonyl-2,4-dimethyl-1H-pyrrol-3-yl)methy, diethyl 4,4'-methanediylbis(3,5-dimethyl-1H-pyrrole-2-carboxylate)
| Molecular Formula | C19H26N2O4 |
|---|---|
| Molecular Weight | 346.19 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 84.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 346.18927 |
| Heavy Atoms | 25 |
| Complexity | 442.0 |
Chemical Identifiers
| CAS Number | 6285-54-7 |
|---|---|
| SMILES | CCOC(=O)C1=C(C(=C(N1)C)CC2=C(NC(=C2C)C(=O)OCC)C)C |
| InChIKey | YPAAJDSVTRRWMH-UHFFFAOYSA-N |
Product Overview
4,4'-Methylenebis(3,5-dimethyl-1H-pyrrole-2-carboxylic acid) diethyl ester (CAS 6285-54-7), with molecular formula C19H26N2O4 and molecular weight 346.19 g/mol. IUPAC: ethyl 4-[(5-ethoxycarbonyl-2,4-dimethyl-1H-pyrrol-3-yl)methyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate.
Chemical Property Profile of 4,4'-Methylenebis(3,5-dimethyl-1H-pyrrole-2-carboxylic acid) diethyl ester
Property Insights of 4,4'-Methylenebis(3,5-dimethyl-1H-pyrrole-2-carboxylic acid) diethyl ester
The XLogP value of 4.1 indicates that 4,4'-Methylenebis(3,5-dimethyl-1H-pyrrole-2-carboxylic acid) diethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,4'-Methylenebis(3,5-dimethyl-1H-pyrrole-2-carboxylic acid) diethyl ester. Following Lipinski's Rule of Five, 4,4'-Methylenebis(3,5-dimethyl-1H-pyrrole-2-carboxylic acid) diethyl ester has 2 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 4,4'-Methylenebis(3,5-dimethyl-1H-pyrrole-2-carboxylic acid) diethyl ester?
The CAS number of 4,4'-Methylenebis(3,5-dimethyl-1H-pyrrole-2-carboxylic acid) diethyl ester is 6285-54-7.
What is the molecular formula of 4,4'-Methylenebis(3,5-dimethyl-1H-pyrrole-2-carboxylic acid) diethyl ester?
The molecular formula of 4,4'-Methylenebis(3,5-dimethyl-1H-pyrrole-2-carboxylic acid) diethyl ester is C19H26N2O4.
What is the molecular weight of 4,4'-Methylenebis(3,5-dimethyl-1H-pyrrole-2-carboxylic acid) diethyl ester?
The molecular weight of 4,4'-Methylenebis(3,5-dimethyl-1H-pyrrole-2-carboxylic acid) diethyl ester is 346.19 g/mol.
Where can I buy 4,4'-Methylenebis(3,5-dimethyl-1H-pyrrole-2-carboxylic acid) diethyl ester?
You can request a quote for 4,4'-Methylenebis(3,5-dimethyl-1H-pyrrole-2-carboxylic acid) diethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,4'-Methylenebis(3,5-dimethyl-1H-pyrrole-2-carboxylic acid) diethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 4,4'-Methylenebis(3,5-dimethyl-1H-pyrrole-2-carboxylic acid) diethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.