(2E)-4-(5-(2-furyl)-3-(2-thienyl)(2-pyrazolinyl))-4-oxobut-2-enoic acid
TL;DR: (2E)-4-(5-(2-furyl)-3-(2-thienyl)(2-pyrazolinyl))-4-oxobut-2-enoic acid (CAS 578701-20-9) is a chemical compound with molecular formula C15H12N2O4S and molecular weight 316.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-4-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-oxobut-2-enoic acid
Also Known As: (2E)-4-(5-(2-furyl)-3-(2-thienyl)(2-pyrazolinyl))-4-oxobut-2-enoic acid, (E)-4-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-oxobut-2-enoic acid, 4-[5-(2-furyl)-3-thiophen-2-yl-4,5-dihydropyrazol-1-yl]-4-oxo-but-2-enoic Acid, (2E)-4-[5-(furan-2-yl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-4-oxobut-2-enoic acid, (E)-4-(5-(furan-2-yl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl)-4-oxobut-2-enoic acid
| Molecular Formula | C15H12N2O4S |
|---|---|
| Molecular Weight | 316.05 g/mol |
| LogP | 2.6596 |
| Topological Polar Surface Area | 83.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 316.0518 |
| Heavy Atoms | 22 |
| Complexity | 731.7002 |
Chemical Identifiers
| CAS Number | 578701-20-9 |
|---|---|
| SMILES | C1C(N(N=C1C2=CC=CS2)C(=O)/C=C/C(=O)O)C3=CC=CO3 |
Product Overview
(2E)-4-(5-(2-furyl)-3-(2-thienyl)(2-pyrazolinyl))-4-oxobut-2-enoic acid (CAS 578701-20-9), with molecular formula C15H12N2O4S and molecular weight 316.05 g/mol. IUPAC: (E)-4-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-oxobut-2-enoic acid.
Chemical Property Profile of (2E)-4-(5-(2-furyl)-3-(2-thienyl)(2-pyrazolinyl))-4-oxobut-2-enoic acid
Property Insights of (2E)-4-(5-(2-furyl)-3-(2-thienyl)(2-pyrazolinyl))-4-oxobut-2-enoic acid
The XLogP value of 2.6596 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2E)-4-(5-(2-furyl)-3-(2-thienyl)(2-pyrazolinyl))-4-oxobut-2-enoic acid. The TPSA of 83.11 Ų falls within the moderate polarity range, balancing permeability and solubility for (2E)-4-(5-(2-furyl)-3-(2-thienyl)(2-pyrazolinyl))-4-oxobut-2-enoic acid. Following Lipinski's Rule of Five, (2E)-4-(5-(2-furyl)-3-(2-thienyl)(2-pyrazolinyl))-4-oxobut-2-enoic acid 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 (2E)-4-(5-(2-furyl)-3-(2-thienyl)(2-pyrazolinyl))-4-oxobut-2-enoic acid?
The CAS number of (2E)-4-(5-(2-furyl)-3-(2-thienyl)(2-pyrazolinyl))-4-oxobut-2-enoic acid is 578701-20-9.
What is the molecular formula of (2E)-4-(5-(2-furyl)-3-(2-thienyl)(2-pyrazolinyl))-4-oxobut-2-enoic acid?
The molecular formula of (2E)-4-(5-(2-furyl)-3-(2-thienyl)(2-pyrazolinyl))-4-oxobut-2-enoic acid is C15H12N2O4S.
What is the molecular weight of (2E)-4-(5-(2-furyl)-3-(2-thienyl)(2-pyrazolinyl))-4-oxobut-2-enoic acid?
The molecular weight of (2E)-4-(5-(2-furyl)-3-(2-thienyl)(2-pyrazolinyl))-4-oxobut-2-enoic acid is 316.05 g/mol.
Where can I buy (2E)-4-(5-(2-furyl)-3-(2-thienyl)(2-pyrazolinyl))-4-oxobut-2-enoic acid?
You can request a quote for (2E)-4-(5-(2-furyl)-3-(2-thienyl)(2-pyrazolinyl))-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 (2E)-4-(5-(2-furyl)-3-(2-thienyl)(2-pyrazolinyl))-4-oxobut-2-enoic acid?
Yes, KEHONG BIO provides custom synthesis services for (2E)-4-(5-(2-furyl)-3-(2-thienyl)(2-pyrazolinyl))-4-oxobut-2-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.