![(2Z)-1-{1-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-5-hydroxy-3-methyl-1H-pyrazol-4-yl}-3-hydroxybut-2-en-1-one structure](/static/products/2450/245039-17-2.webp)
(2Z)-1-{1-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-5-hydroxy-3-methyl-1H-pyrazol-4-yl}-3-hydroxybut-2-en-1-one
TL;DR: (2Z)-1-{1-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-5-hydroxy-3-methyl-1H-pyrazol-4-yl}-3-hydroxybut-2-en-1-one (CAS 245039-17-2) is a chemical compound with molecular formula C17H13Cl2N3O3S and molecular weight 409.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-4-(1-hydroxy-3-oxobut-1-enyl)-5-methyl-1H-pyrazol-3-one
Also Known As: (2Z)-1-{1-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-5-hydroxy-3-methyl-1H-pyrazol-4-yl}-3-hydroxybut-2-en-1-one, 1-{1-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-5-hydroxy-3-methyl-1H-pyrazol-4-yl}-3-hydroxy-2-buten-1-one, 2-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-4-(1-hydroxy-3-oxobut-1-enyl)-5-methyl-1H-pyrazol-3-one
| Molecular Formula | C17H13Cl2N3O3S |
|---|---|
| Molecular Weight | 409.01 g/mol |
| LogP | 4.39222 |
| Topological Polar Surface Area | 87.98 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 409.00546 |
| Heavy Atoms | 26 |
| Complexity | 1095.111 |
Chemical Identifiers
| CAS Number | 245039-17-2 |
|---|---|
| SMILES | CC1=C(C(=O)N(N1)C2=NC(=CS2)C3=C(C=C(C=C3)Cl)Cl)C(=CC(=O)C)O |
Product Overview
(2Z)-1-{1-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-5-hydroxy-3-methyl-1H-pyrazol-4-yl}-3-hydroxybut-2-en-1-one (CAS 245039-17-2), with molecular formula C17H13Cl2N3O3S and molecular weight 409.01 g/mol. IUPAC: 2-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-4-(1-hydroxy-3-oxobut-1-enyl)-5-methyl-1H-pyrazol-3-one.
Chemical Property Profile of (2Z)-1-{1-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-5-hydroxy-3-methyl-1H-pyrazol-4-yl}-3-hydroxybut-2-en-1-one
Property Insights of (2Z)-1-{1-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-5-hydroxy-3-methyl-1H-pyrazol-4-yl}-3-hydroxybut-2-en-1-one
The XLogP value of 4.39222 indicates that (2Z)-1-{1-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-5-hydroxy-3-methyl-1H-pyrazol-4-yl}-3-hydroxybut-2-en-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.98 Ų falls within the moderate polarity range, balancing permeability and solubility for (2Z)-1-{1-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-5-hydroxy-3-methyl-1H-pyrazol-4-yl}-3-hydroxybut-2-en-1-one. Following Lipinski's Rule of Five, (2Z)-1-{1-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-5-hydroxy-3-methyl-1H-pyrazol-4-yl}-3-hydroxybut-2-en-1-one has 2 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 (2Z)-1-{1-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-5-hydroxy-3-methyl-1H-pyrazol-4-yl}-3-hydroxybut-2-en-1-one?
The CAS number of (2Z)-1-{1-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-5-hydroxy-3-methyl-1H-pyrazol-4-yl}-3-hydroxybut-2-en-1-one is 245039-17-2.
What is the molecular formula of (2Z)-1-{1-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-5-hydroxy-3-methyl-1H-pyrazol-4-yl}-3-hydroxybut-2-en-1-one?
The molecular formula of (2Z)-1-{1-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-5-hydroxy-3-methyl-1H-pyrazol-4-yl}-3-hydroxybut-2-en-1-one is C17H13Cl2N3O3S.
What is the molecular weight of (2Z)-1-{1-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-5-hydroxy-3-methyl-1H-pyrazol-4-yl}-3-hydroxybut-2-en-1-one?
The molecular weight of (2Z)-1-{1-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-5-hydroxy-3-methyl-1H-pyrazol-4-yl}-3-hydroxybut-2-en-1-one is 409.01 g/mol.
Where can I buy (2Z)-1-{1-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-5-hydroxy-3-methyl-1H-pyrazol-4-yl}-3-hydroxybut-2-en-1-one?
You can request a quote for (2Z)-1-{1-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-5-hydroxy-3-methyl-1H-pyrazol-4-yl}-3-hydroxybut-2-en-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2Z)-1-{1-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-5-hydroxy-3-methyl-1H-pyrazol-4-yl}-3-hydroxybut-2-en-1-one?
Yes, KEHONG BIO provides custom synthesis services for (2Z)-1-{1-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-5-hydroxy-3-methyl-1H-pyrazol-4-yl}-3-hydroxybut-2-en-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.