(E)-4-((3-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-2-methoxyphenyl furan-2-carboxylate
TL;DR: (E)-4-((3-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-2-methoxyphenyl furan-2-carboxylate (CAS 372498-67-4) is a chemical compound with molecular formula C27H21N3O6S2 and molecular weight 547.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[(E)-[3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-2-methoxyphenyl] furan-2-carboxylate
Also Known As: (E)-4-((3-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-2-methoxyphenyl furan-2-carboxylate, [4-[(E)-[3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-2-methoxyphenyl] furan-2-carboxylate, 4-{(E)-[3-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-2-methoxyphenyl 2-furoate
| Molecular Formula | C27H21N3O6S2 |
|---|---|
| Molecular Weight | 547.09 g/mol |
| LogP | 4.71102 |
| Topological Polar Surface Area | 95.91 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 547.08716 |
| Heavy Atoms | 38 |
| Complexity | 1651.9266 |
Chemical Identifiers
| CAS Number | 372498-67-4 |
|---|---|
| SMILES | CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N3C(=O)/C(=C\C4=CC(=C(C=C4)OC(=O)C5=CC=CO5)OC)/SC3=S |
Product Overview
(E)-4-((3-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-2-methoxyphenyl furan-2-carboxylate (CAS 372498-67-4), with molecular formula C27H21N3O6S2 and molecular weight 547.09 g/mol. IUPAC: [4-[(E)-[3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-2-methoxyphenyl] furan-2-carboxylate.
Chemical Property Profile of (E)-4-((3-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-2-methoxyphenyl furan-2-carboxylate
Property Insights of (E)-4-((3-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-2-methoxyphenyl furan-2-carboxylate
The XLogP value of 4.71102 indicates that (E)-4-((3-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-2-methoxyphenyl furan-2-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.91 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-4-((3-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-2-methoxyphenyl furan-2-carboxylate. Following Lipinski's Rule of Five, (E)-4-((3-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-2-methoxyphenyl furan-2-carboxylate has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (E)-4-((3-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-2-methoxyphenyl furan-2-carboxylate?
The CAS number of (E)-4-((3-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-2-methoxyphenyl furan-2-carboxylate is 372498-67-4.
What is the molecular formula of (E)-4-((3-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-2-methoxyphenyl furan-2-carboxylate?
The molecular formula of (E)-4-((3-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-2-methoxyphenyl furan-2-carboxylate is C27H21N3O6S2.
What is the molecular weight of (E)-4-((3-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-2-methoxyphenyl furan-2-carboxylate?
The molecular weight of (E)-4-((3-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-2-methoxyphenyl furan-2-carboxylate is 547.09 g/mol.
Where can I buy (E)-4-((3-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-2-methoxyphenyl furan-2-carboxylate?
You can request a quote for (E)-4-((3-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-2-methoxyphenyl furan-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-4-((3-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-2-methoxyphenyl furan-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for (E)-4-((3-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-2-methoxyphenyl furan-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.