![(E)-4-[(1,3-diphenylpyrazol-4-yl)methylamino]-4-oxobut-2-enoic acid structure](/static/products/956/956046-71-2.png)
(E)-4-[(1,3-diphenylpyrazol-4-yl)methylamino]-4-oxobut-2-enoic acid
TL;DR: (E)-4-[(1,3-diphenylpyrazol-4-yl)methylamino]-4-oxobut-2-enoic acid (CAS 956046-71-2) is a chemical compound with molecular formula C20H17N3O3 and molecular weight 347.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-4-[(1,3-diphenylpyrazol-4-yl)methylamino]-4-oxobut-2-enoic acid
Also Known As: AB00686397-01, (E)-4-[(1,3-diphenylpyrazol-4-yl)methylamino]-4-oxobut-2-enoic acid, (2E)-3-{[(1,3-diphenyl-1H-pyrazol-4-yl)methyl]carbamoyl}prop-2-enoic acid, (E)-4-(((1,3-diphenyl-1H-pyrazol-4-yl)methyl)amino)-4-oxobut-2-enoic acid, F1683-2868
| Molecular Formula | C20H17N3O3 |
|---|---|
| Molecular Weight | 347.13 g/mol |
| LogP | 2.7963 |
| Topological Polar Surface Area | 84.22 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 347.12698 |
| Heavy Atoms | 26 |
| Complexity | 931.44995 |
Chemical Identifiers
| CAS Number | 956046-71-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=NN(C=C2CNC(=O)/C=C/C(=O)O)C3=CC=CC=C3 |
Product Overview
(E)-4-[(1,3-diphenylpyrazol-4-yl)methylamino]-4-oxobut-2-enoic acid (CAS 956046-71-2), with molecular formula C20H17N3O3 and molecular weight 347.13 g/mol. IUPAC: (E)-4-[(1,3-diphenylpyrazol-4-yl)methylamino]-4-oxobut-2-enoic acid.
Chemical Property Profile of (E)-4-[(1,3-diphenylpyrazol-4-yl)methylamino]-4-oxobut-2-enoic acid
Property Insights of (E)-4-[(1,3-diphenylpyrazol-4-yl)methylamino]-4-oxobut-2-enoic acid
The XLogP value of 2.7963 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-4-[(1,3-diphenylpyrazol-4-yl)methylamino]-4-oxobut-2-enoic acid. The TPSA of 84.22 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-4-[(1,3-diphenylpyrazol-4-yl)methylamino]-4-oxobut-2-enoic acid. Following Lipinski's Rule of Five, (E)-4-[(1,3-diphenylpyrazol-4-yl)methylamino]-4-oxobut-2-enoic acid has 2 hydrogen bond donor(s) and 3 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 (E)-4-[(1,3-diphenylpyrazol-4-yl)methylamino]-4-oxobut-2-enoic acid?
The CAS number of (E)-4-[(1,3-diphenylpyrazol-4-yl)methylamino]-4-oxobut-2-enoic acid is 956046-71-2.
What is the molecular formula of (E)-4-[(1,3-diphenylpyrazol-4-yl)methylamino]-4-oxobut-2-enoic acid?
The molecular formula of (E)-4-[(1,3-diphenylpyrazol-4-yl)methylamino]-4-oxobut-2-enoic acid is C20H17N3O3.
What is the molecular weight of (E)-4-[(1,3-diphenylpyrazol-4-yl)methylamino]-4-oxobut-2-enoic acid?
The molecular weight of (E)-4-[(1,3-diphenylpyrazol-4-yl)methylamino]-4-oxobut-2-enoic acid is 347.13 g/mol.
Where can I buy (E)-4-[(1,3-diphenylpyrazol-4-yl)methylamino]-4-oxobut-2-enoic acid?
You can request a quote for (E)-4-[(1,3-diphenylpyrazol-4-yl)methylamino]-4-oxobut-2-enoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-4-[(1,3-diphenylpyrazol-4-yl)methylamino]-4-oxobut-2-enoic acid?
Yes, KEHONG BIO provides custom synthesis services for (E)-4-[(1,3-diphenylpyrazol-4-yl)methylamino]-4-oxobut-2-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.