5,5'-Methylenebis(4-(ethoxycarbonyl)-3-methyl-1H-pyrrole-2-carboxylic acid)
TL;DR: 5,5'-Methylenebis(4-(ethoxycarbonyl)-3-methyl-1H-pyrrole-2-carboxylic acid) (CAS 6968-34-9) is a chemical compound with molecular formula C19H22N2O8 and molecular weight 406.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(5-carboxy-3-ethoxycarbonyl-4-methyl-1H-pyrrol-2-yl)methyl]-4-ethoxycarbonyl-3-methyl-1H-pyrrole-2-carboxylic acid
Also Known As: 5-[(5-carboxy-3-ethoxycarbonyl-4-methyl-1H-pyrrol-2-yl)methy, 5,5'-methanediylbis[4-(ethoxycarbonyl)-3-methyl-1h-pyrrole-2-carboxylic acid], 5,5'-METHYLENEBIS(4-(ETHOXYCARBONYL)-3-METHYL-1H-PYRROLE-2-CARBOXYLIC ACID), 5-[ methyl]-4-ethoxycarbonyl-3-methyl-1H-pyrrole-2-carboxylicacid, 5-[(5-carboxy-3-ethoxycarbonyl-4-methyl-1H-pyrrol-2-yl)methyl]-4-ethoxycarbonyl-3-methyl-1H-pyrrole-2-carboxylic acid
| Molecular Formula | C19H22N2O8 |
|---|---|
| Molecular Weight | 406.14 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 159.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 10 |
| Exact Mass | 406.1376 |
| Heavy Atoms | 29 |
| Complexity | 600.0 |
Chemical Identifiers
| CAS Number | 6968-34-9 |
|---|---|
| SMILES | CCOC(=O)C1=C(NC(=C1C)C(=O)O)CC2=C(C(=C(N2)C(=O)O)C)C(=O)OCC |
| InChIKey | XGDNUJGQQURYIW-UHFFFAOYSA-N |
Product Overview
5,5'-Methylenebis(4-(ethoxycarbonyl)-3-methyl-1H-pyrrole-2-carboxylic acid) (CAS 6968-34-9), with molecular formula C19H22N2O8 and molecular weight 406.14 g/mol. IUPAC: 5-[(5-carboxy-3-ethoxycarbonyl-4-methyl-1H-pyrrol-2-yl)methyl]-4-ethoxycarbonyl-3-methyl-1H-pyrrole-2-carboxylic acid.
Chemical Property Profile of 5,5'-Methylenebis(4-(ethoxycarbonyl)-3-methyl-1H-pyrrole-2-carboxylic acid)
Property Insights of 5,5'-Methylenebis(4-(ethoxycarbonyl)-3-methyl-1H-pyrrole-2-carboxylic acid)
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5,5'-Methylenebis(4-(ethoxycarbonyl)-3-methyl-1H-pyrrole-2-carboxylic acid). The TPSA of 159.0 Ų indicates high polarity, suggesting 5,5'-Methylenebis(4-(ethoxycarbonyl)-3-methyl-1H-pyrrole-2-carboxylic acid) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 5,5'-Methylenebis(4-(ethoxycarbonyl)-3-methyl-1H-pyrrole-2-carboxylic acid) has 4 hydrogen bond donor(s) and 8 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 5,5'-Methylenebis(4-(ethoxycarbonyl)-3-methyl-1H-pyrrole-2-carboxylic acid)?
The CAS number of 5,5'-Methylenebis(4-(ethoxycarbonyl)-3-methyl-1H-pyrrole-2-carboxylic acid) is 6968-34-9.
What is the molecular formula of 5,5'-Methylenebis(4-(ethoxycarbonyl)-3-methyl-1H-pyrrole-2-carboxylic acid)?
The molecular formula of 5,5'-Methylenebis(4-(ethoxycarbonyl)-3-methyl-1H-pyrrole-2-carboxylic acid) is C19H22N2O8.
What is the molecular weight of 5,5'-Methylenebis(4-(ethoxycarbonyl)-3-methyl-1H-pyrrole-2-carboxylic acid)?
The molecular weight of 5,5'-Methylenebis(4-(ethoxycarbonyl)-3-methyl-1H-pyrrole-2-carboxylic acid) is 406.14 g/mol.
Where can I buy 5,5'-Methylenebis(4-(ethoxycarbonyl)-3-methyl-1H-pyrrole-2-carboxylic acid)?
You can request a quote for 5,5'-Methylenebis(4-(ethoxycarbonyl)-3-methyl-1H-pyrrole-2-carboxylic acid) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5,5'-Methylenebis(4-(ethoxycarbonyl)-3-methyl-1H-pyrrole-2-carboxylic acid)?
Yes, KEHONG BIO provides custom synthesis services for 5,5'-Methylenebis(4-(ethoxycarbonyl)-3-methyl-1H-pyrrole-2-carboxylic acid) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.