diethyl 5,5'-methylenebis(4-butyl-3-methyl-1H-pyrrole-2-carboxylate)
TL;DR: diethyl 5,5'-methylenebis(4-butyl-3-methyl-1H-pyrrole-2-carboxylate) (CAS 131012-31-2) is a chemical compound with molecular formula C25H38N2O4 and molecular weight 430.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-butyl-5-[(3-butyl-5-ethoxycarbonyl-4-methyl-1H-pyrrol-2-yl)methyl]-3-methyl-1H-pyrrole-2-carboxylate
Also Known As: diethyl 5,5'-methylenebis(4-butyl-3-methyl-1H-pyrrole-2-carboxylate), ethyl 4-butyl-5-[(3-butyl-5-ethoxycarbonyl-4-methyl-1H-pyrrol-2-yl)methyl]-3-methyl-1H-pyrrole-2-carboxylate
| Molecular Formula | C25H38N2O4 |
|---|---|
| Molecular Weight | 430.28 g/mol |
| LogP | 5.58904 |
| Topological Polar Surface Area | 84.18 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 12 |
| Exact Mass | 430.28317 |
| Heavy Atoms | 31 |
| Complexity | 819.70953 |
Chemical Identifiers
| CAS Number | 131012-31-2 |
|---|---|
| SMILES | CCCCC1=C(NC(=C1C)C(=O)OCC)CC2=C(C(=C(N2)C(=O)OCC)C)CCCC |
Product Overview
diethyl 5,5'-methylenebis(4-butyl-3-methyl-1H-pyrrole-2-carboxylate) (CAS 131012-31-2), with molecular formula C25H38N2O4 and molecular weight 430.28 g/mol. IUPAC: ethyl 4-butyl-5-[(3-butyl-5-ethoxycarbonyl-4-methyl-1H-pyrrol-2-yl)methyl]-3-methyl-1H-pyrrole-2-carboxylate.
Chemical Property Profile of diethyl 5,5'-methylenebis(4-butyl-3-methyl-1H-pyrrole-2-carboxylate)
Property Insights of diethyl 5,5'-methylenebis(4-butyl-3-methyl-1H-pyrrole-2-carboxylate)
The XLogP value of 5.58904 indicates that diethyl 5,5'-methylenebis(4-butyl-3-methyl-1H-pyrrole-2-carboxylate) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.18 Ų falls within the moderate polarity range, balancing permeability and solubility for diethyl 5,5'-methylenebis(4-butyl-3-methyl-1H-pyrrole-2-carboxylate). Following Lipinski's Rule of Five, diethyl 5,5'-methylenebis(4-butyl-3-methyl-1H-pyrrole-2-carboxylate) has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of diethyl 5,5'-methylenebis(4-butyl-3-methyl-1H-pyrrole-2-carboxylate)?
The CAS number of diethyl 5,5'-methylenebis(4-butyl-3-methyl-1H-pyrrole-2-carboxylate) is 131012-31-2.
What is the molecular formula of diethyl 5,5'-methylenebis(4-butyl-3-methyl-1H-pyrrole-2-carboxylate)?
The molecular formula of diethyl 5,5'-methylenebis(4-butyl-3-methyl-1H-pyrrole-2-carboxylate) is C25H38N2O4.
What is the molecular weight of diethyl 5,5'-methylenebis(4-butyl-3-methyl-1H-pyrrole-2-carboxylate)?
The molecular weight of diethyl 5,5'-methylenebis(4-butyl-3-methyl-1H-pyrrole-2-carboxylate) is 430.28 g/mol.
Where can I buy diethyl 5,5'-methylenebis(4-butyl-3-methyl-1H-pyrrole-2-carboxylate)?
You can request a quote for diethyl 5,5'-methylenebis(4-butyl-3-methyl-1H-pyrrole-2-carboxylate) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for diethyl 5,5'-methylenebis(4-butyl-3-methyl-1H-pyrrole-2-carboxylate)?
Yes, KEHONG BIO provides custom synthesis services for diethyl 5,5'-methylenebis(4-butyl-3-methyl-1H-pyrrole-2-carboxylate) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.