![Propanedioic acid, 2-[[[4-(3,4,5-tribromo-1H-pyrazol-1-yl)phenyl]amino]methylene]-, 1,3-diethyl ester structure](/static/products/2197/219793-86-9.webp)
Propanedioic acid, 2-[[[4-(3,4,5-tribromo-1H-pyrazol-1-yl)phenyl]amino]methylene]-, 1,3-diethyl ester
TL;DR: Propanedioic acid, 2-[[[4-(3,4,5-tribromo-1H-pyrazol-1-yl)phenyl]amino]methylene]-, 1,3-diethyl ester (CAS 219793-86-9) is a chemical compound with molecular formula C17H16Br3N3O4 and molecular weight 562.87 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-[[4-(3,4,5-tribromopyrazol-1-yl)anilino]methylidene]propanedioate
Also Known As: Propanedioic acid, 2-[[[4-(3,4,5-tribromo-1H-pyrazol-1-yl)phenyl]amino]methylene]-, 1,3-diethyl ester, 1,3-Diethyl 2-[[[4-(3,4,5-tribromo-1H-pyrazol-1-yl)phenyl]amino]methylene]propanedioate, 1,3-Diethyl 2-(((4-(3,4,5-tribromo-1H-pyrazol-1-yl)phenyl)amino)methylene)propanedioate, 1,3-diethyl 2-({[4-(tribromopyrazol-1-yl)phenyl]amino}methylidene)propanedioate, Diethyl {[4-(3,4,5-tribromo-1H-pyrazol-1-yl)anilino]methylidene}propanedioate
| Molecular Formula | C17H16Br3N3O4 |
|---|---|
| Molecular Weight | 562.87 g/mol |
| LogP | 4.5818 |
| Topological Polar Surface Area | 82.45 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 562.8691 |
| Heavy Atoms | 27 |
| Complexity | 843.0537 |
Chemical Identifiers
| CAS Number | 219793-86-9 |
|---|---|
| SMILES | CCOC(=O)C(=CNC1=CC=C(C=C1)N2C(=C(C(=N2)Br)Br)Br)C(=O)OCC |
Product Overview
Propanedioic acid, 2-[[[4-(3,4,5-tribromo-1H-pyrazol-1-yl)phenyl]amino]methylene]-, 1,3-diethyl ester (CAS 219793-86-9), with molecular formula C17H16Br3N3O4 and molecular weight 562.87 g/mol. IUPAC: diethyl 2-[[4-(3,4,5-tribromopyrazol-1-yl)anilino]methylidene]propanedioate.
Chemical Property Profile of Propanedioic acid, 2-[[[4-(3,4,5-tribromo-1H-pyrazol-1-yl)phenyl]amino]methylene]-, 1,3-diethyl ester
Property Insights of Propanedioic acid, 2-[[[4-(3,4,5-tribromo-1H-pyrazol-1-yl)phenyl]amino]methylene]-, 1,3-diethyl ester
The XLogP value of 4.5818 indicates that Propanedioic acid, 2-[[[4-(3,4,5-tribromo-1H-pyrazol-1-yl)phenyl]amino]methylene]-, 1,3-diethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.45 Ų falls within the moderate polarity range, balancing permeability and solubility for Propanedioic acid, 2-[[[4-(3,4,5-tribromo-1H-pyrazol-1-yl)phenyl]amino]methylene]-, 1,3-diethyl ester. Following Lipinski's Rule of Five, Propanedioic acid, 2-[[[4-(3,4,5-tribromo-1H-pyrazol-1-yl)phenyl]amino]methylene]-, 1,3-diethyl ester has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Propanedioic acid, 2-[[[4-(3,4,5-tribromo-1H-pyrazol-1-yl)phenyl]amino]methylene]-, 1,3-diethyl ester?
The CAS number of Propanedioic acid, 2-[[[4-(3,4,5-tribromo-1H-pyrazol-1-yl)phenyl]amino]methylene]-, 1,3-diethyl ester is 219793-86-9.
What is the molecular formula of Propanedioic acid, 2-[[[4-(3,4,5-tribromo-1H-pyrazol-1-yl)phenyl]amino]methylene]-, 1,3-diethyl ester?
The molecular formula of Propanedioic acid, 2-[[[4-(3,4,5-tribromo-1H-pyrazol-1-yl)phenyl]amino]methylene]-, 1,3-diethyl ester is C17H16Br3N3O4.
What is the molecular weight of Propanedioic acid, 2-[[[4-(3,4,5-tribromo-1H-pyrazol-1-yl)phenyl]amino]methylene]-, 1,3-diethyl ester?
The molecular weight of Propanedioic acid, 2-[[[4-(3,4,5-tribromo-1H-pyrazol-1-yl)phenyl]amino]methylene]-, 1,3-diethyl ester is 562.87 g/mol.
Where can I buy Propanedioic acid, 2-[[[4-(3,4,5-tribromo-1H-pyrazol-1-yl)phenyl]amino]methylene]-, 1,3-diethyl ester?
You can request a quote for Propanedioic acid, 2-[[[4-(3,4,5-tribromo-1H-pyrazol-1-yl)phenyl]amino]methylene]-, 1,3-diethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propanedioic acid, 2-[[[4-(3,4,5-tribromo-1H-pyrazol-1-yl)phenyl]amino]methylene]-, 1,3-diethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Propanedioic acid, 2-[[[4-(3,4,5-tribromo-1H-pyrazol-1-yl)phenyl]amino]methylene]-, 1,3-diethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.