2,2'-Methylenebis(diethyl 4-methyl-3,5-pyrroledicarboxylate)
TL;DR: 2,2'-Methylenebis(diethyl 4-methyl-3,5-pyrroledicarboxylate) (CAS 5431-96-9) is a chemical compound with molecular formula C23H30N2O8 and molecular weight 462.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 5-[[3,5-bis(ethoxycarbonyl)-4-methyl-1H-pyrrol-2-yl]methyl]-3-methyl-1H-pyrrole-2,4-dicarboxylate
Also Known As: 2,2'-METHYLENEBIS(DIETHYL 4-METHYL-3,5-PYRROLEDICARBOXYLATE), 4,4-Dimethyl-3-(trimethylsiloxy)-2-pentanon, 4,4-dimethyl-3-<(trimethylsilyl)oxy>pentan-2-one, Tetraethyl 5,5'-methylenebis(3-methyl-1H-pyrrole-2,4-dicarboxylate), tetraethyl 5,5'-methanediylbis(3-methyl-1h-pyrrole-2,4-dicarboxylate)
| Molecular Formula | C23H30N2O8 |
|---|---|
| Molecular Weight | 462.20 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 137.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 14 |
| Exact Mass | 462.20023 |
| Heavy Atoms | 33 |
| Complexity | 657.0 |
Chemical Identifiers
| CAS Number | 5431-96-9 |
|---|---|
| SMILES | CCOC(=O)C1=C(NC(=C1C)C(=O)OCC)CC2=C(C(=C(N2)C(=O)OCC)C)C(=O)OCC |
| InChIKey | WVKWZKUHEZIQNO-UHFFFAOYSA-N |
Product Overview
2,2'-Methylenebis(diethyl 4-methyl-3,5-pyrroledicarboxylate) (CAS 5431-96-9), with molecular formula C23H30N2O8 and molecular weight 462.20 g/mol. IUPAC: diethyl 5-[[3,5-bis(ethoxycarbonyl)-4-methyl-1H-pyrrol-2-yl]methyl]-3-methyl-1H-pyrrole-2,4-dicarboxylate.
Chemical Property Profile of 2,2'-Methylenebis(diethyl 4-methyl-3,5-pyrroledicarboxylate)
Property Insights of 2,2'-Methylenebis(diethyl 4-methyl-3,5-pyrroledicarboxylate)
The XLogP value of 3.8 indicates that 2,2'-Methylenebis(diethyl 4-methyl-3,5-pyrroledicarboxylate) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 137.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,2'-Methylenebis(diethyl 4-methyl-3,5-pyrroledicarboxylate). Following Lipinski's Rule of Five, 2,2'-Methylenebis(diethyl 4-methyl-3,5-pyrroledicarboxylate) has 2 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 2,2'-Methylenebis(diethyl 4-methyl-3,5-pyrroledicarboxylate)?
The CAS number of 2,2'-Methylenebis(diethyl 4-methyl-3,5-pyrroledicarboxylate) is 5431-96-9.
What is the molecular formula of 2,2'-Methylenebis(diethyl 4-methyl-3,5-pyrroledicarboxylate)?
The molecular formula of 2,2'-Methylenebis(diethyl 4-methyl-3,5-pyrroledicarboxylate) is C23H30N2O8.
What is the molecular weight of 2,2'-Methylenebis(diethyl 4-methyl-3,5-pyrroledicarboxylate)?
The molecular weight of 2,2'-Methylenebis(diethyl 4-methyl-3,5-pyrroledicarboxylate) is 462.20 g/mol.
Where can I buy 2,2'-Methylenebis(diethyl 4-methyl-3,5-pyrroledicarboxylate)?
You can request a quote for 2,2'-Methylenebis(diethyl 4-methyl-3,5-pyrroledicarboxylate) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2'-Methylenebis(diethyl 4-methyl-3,5-pyrroledicarboxylate)?
Yes, KEHONG BIO provides custom synthesis services for 2,2'-Methylenebis(diethyl 4-methyl-3,5-pyrroledicarboxylate) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.