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Diethyl 2-[(2-pyrrol-1-ylanilino)methylidene]propanedioate
TL;DR: Diethyl 2-[(2-pyrrol-1-ylanilino)methylidene]propanedioate (CAS 58785-18-5) is a chemical compound with molecular formula C18H20N2O4 and molecular weight 328.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-[(2-pyrrol-1-ylanilino)methylidene]propanedioate
Also Known As: diethyl 2-[(2-pyrrol-1-ylanilino)methylidene]propanedioate, diethyl [2-(pyrrol-1-yl)anilino]methylenemalonate, Diethyl {[2-(1H-pyrrol-1-yl)anilino]methylidene}propanedioate, diethyl ({[2-(1H-pyrrol-1-yl)phenyl]amino}methylidene)propanedioate, propanedioic acid, 2-[[[2-(1H-pyrrol-1-yl)phenyl]amino]methylene]-, diethyl ester
| Molecular Formula | C18H20N2O4 |
|---|---|
| Molecular Weight | 328.14 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 69.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 328.1423 |
| Heavy Atoms | 24 |
| Complexity | 438.0 |
Chemical Identifiers
| CAS Number | 58785-18-5 |
|---|---|
| SMILES | CCOC(=O)C(=CNC1=CC=CC=C1N2C=CC=C2)C(=O)OCC |
| InChIKey | CCWDOZNHWALXGS-UHFFFAOYSA-N |
Product Overview
Diethyl 2-[(2-pyrrol-1-ylanilino)methylidene]propanedioate (CAS 58785-18-5), with molecular formula C18H20N2O4 and molecular weight 328.14 g/mol. IUPAC: diethyl 2-[(2-pyrrol-1-ylanilino)methylidene]propanedioate.
Chemical Property Profile of Diethyl 2-[(2-pyrrol-1-ylanilino)methylidene]propanedioate
Property Insights of Diethyl 2-[(2-pyrrol-1-ylanilino)methylidene]propanedioate
The XLogP value of 3.6 indicates that Diethyl 2-[(2-pyrrol-1-ylanilino)methylidene]propanedioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl 2-[(2-pyrrol-1-ylanilino)methylidene]propanedioate. Following Lipinski's Rule of Five, Diethyl 2-[(2-pyrrol-1-ylanilino)methylidene]propanedioate has 1 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 2-[(2-pyrrol-1-ylanilino)methylidene]propanedioate?
The CAS number of Diethyl 2-[(2-pyrrol-1-ylanilino)methylidene]propanedioate is 58785-18-5.
What is the molecular formula of Diethyl 2-[(2-pyrrol-1-ylanilino)methylidene]propanedioate?
The molecular formula of Diethyl 2-[(2-pyrrol-1-ylanilino)methylidene]propanedioate is C18H20N2O4.
What is the molecular weight of Diethyl 2-[(2-pyrrol-1-ylanilino)methylidene]propanedioate?
The molecular weight of Diethyl 2-[(2-pyrrol-1-ylanilino)methylidene]propanedioate is 328.14 g/mol.
Where can I buy Diethyl 2-[(2-pyrrol-1-ylanilino)methylidene]propanedioate?
You can request a quote for Diethyl 2-[(2-pyrrol-1-ylanilino)methylidene]propanedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl 2-[(2-pyrrol-1-ylanilino)methylidene]propanedioate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl 2-[(2-pyrrol-1-ylanilino)methylidene]propanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.