![diethyl 5,5'-[(methylimino)dimethanediyl]bis(2,4-dimethyl-1h-pyrrole-3-carboxylate) structure](/static/products/6957/6957-54-6.webp)
diethyl 5,5'-[(methylimino)dimethanediyl]bis(2,4-dimethyl-1h-pyrrole-3-carboxylate)
TL;DR: diethyl 5,5'-[(methylimino)dimethanediyl]bis(2,4-dimethyl-1h-pyrrole-3-carboxylate) (CAS 6957-54-6) is a chemical compound with molecular formula C21H31N3O4 and molecular weight 389.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-[[(4-ethoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)methyl-methylamino]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
Also Known As: diethyl 5,5'-[(methylimino)dimethanediyl]bis(2,4-dimethyl-1h-pyrrole-3-carboxylate), ethyl 5-[[(4-ethoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)meth, Diethyl 5,5'-((methylazanediyl)bis(methylene))bis(2,4-dimethyl-1H-pyrrole-3-carboxylate), ethyl 5-[[(4-ethoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)methyl-methylamino]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate, Diethyl 5,5'-[(methylazanediyl)bis(methylene)]bis(2,4-dimethyl-1H-pyrrole-3-carboxylate)
| Molecular Formula | C21H31N3O4 |
|---|---|
| Molecular Weight | 389.23 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 87.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 10 |
| Exact Mass | 389.23145 |
| Heavy Atoms | 28 |
| Complexity | 498.0 |
Chemical Identifiers
| CAS Number | 6957-54-6 |
|---|---|
| SMILES | CCOC(=O)C1=C(NC(=C1C)CN(C)CC2=C(C(=C(N2)C)C(=O)OCC)C)C |
| InChIKey | ZVHIXVMSRNRJLZ-UHFFFAOYSA-N |
Product Overview
diethyl 5,5'-[(methylimino)dimethanediyl]bis(2,4-dimethyl-1h-pyrrole-3-carboxylate) (CAS 6957-54-6), with molecular formula C21H31N3O4 and molecular weight 389.23 g/mol. IUPAC: ethyl 5-[[(4-ethoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)methyl-methylamino]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate.
Chemical Property Profile of diethyl 5,5'-[(methylimino)dimethanediyl]bis(2,4-dimethyl-1h-pyrrole-3-carboxylate)
Property Insights of diethyl 5,5'-[(methylimino)dimethanediyl]bis(2,4-dimethyl-1h-pyrrole-3-carboxylate)
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for diethyl 5,5'-[(methylimino)dimethanediyl]bis(2,4-dimethyl-1h-pyrrole-3-carboxylate). The TPSA of 87.4 Ų falls within the moderate polarity range, balancing permeability and solubility for diethyl 5,5'-[(methylimino)dimethanediyl]bis(2,4-dimethyl-1h-pyrrole-3-carboxylate). Following Lipinski's Rule of Five, diethyl 5,5'-[(methylimino)dimethanediyl]bis(2,4-dimethyl-1h-pyrrole-3-carboxylate) has 2 hydrogen bond donor(s) and 5 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 diethyl 5,5'-[(methylimino)dimethanediyl]bis(2,4-dimethyl-1h-pyrrole-3-carboxylate)?
The CAS number of diethyl 5,5'-[(methylimino)dimethanediyl]bis(2,4-dimethyl-1h-pyrrole-3-carboxylate) is 6957-54-6.
What is the molecular formula of diethyl 5,5'-[(methylimino)dimethanediyl]bis(2,4-dimethyl-1h-pyrrole-3-carboxylate)?
The molecular formula of diethyl 5,5'-[(methylimino)dimethanediyl]bis(2,4-dimethyl-1h-pyrrole-3-carboxylate) is C21H31N3O4.
What is the molecular weight of diethyl 5,5'-[(methylimino)dimethanediyl]bis(2,4-dimethyl-1h-pyrrole-3-carboxylate)?
The molecular weight of diethyl 5,5'-[(methylimino)dimethanediyl]bis(2,4-dimethyl-1h-pyrrole-3-carboxylate) is 389.23 g/mol.
Where can I buy diethyl 5,5'-[(methylimino)dimethanediyl]bis(2,4-dimethyl-1h-pyrrole-3-carboxylate)?
You can request a quote for diethyl 5,5'-[(methylimino)dimethanediyl]bis(2,4-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 diethyl 5,5'-[(methylimino)dimethanediyl]bis(2,4-dimethyl-1h-pyrrole-3-carboxylate)?
Yes, KEHONG BIO provides custom synthesis services for diethyl 5,5'-[(methylimino)dimethanediyl]bis(2,4-dimethyl-1h-pyrrole-3-carboxylate) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.