![(2Z)-3-hydroxy-1-{5-hydroxy-1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-methyl-1H-pyrazol-4-yl}but-2-en-1-one structure](/static/products/2450/245039-38-7.webp)
(2Z)-3-hydroxy-1-{5-hydroxy-1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-methyl-1H-pyrazol-4-yl}but-2-en-1-one
TL;DR: (2Z)-3-hydroxy-1-{5-hydroxy-1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-methyl-1H-pyrazol-4-yl}but-2-en-1-one (CAS 245039-38-7) is a chemical compound with molecular formula C18H17N3O4S and molecular weight 371.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(1-hydroxy-3-oxobut-1-enyl)-2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5-methyl-1H-pyrazol-3-one
Also Known As: (2Z)-3-hydroxy-1-{5-hydroxy-1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-methyl-1H-pyrazol-4-yl}but-2-en-1-one, 3-hydroxy-1-{5-hydroxy-1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-methyl-1H-pyrazol-4-yl}-2-buten-1-one, 4-(1-hydroxy-3-oxobut-1-enyl)-2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5-methyl-1H-pyrazol-3-one
| Molecular Formula | C18H17N3O4S |
|---|---|
| Molecular Weight | 371.09 g/mol |
| LogP | 3.09402 |
| Topological Polar Surface Area | 97.21 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 371.09396 |
| Heavy Atoms | 26 |
| Complexity | 1041.3232 |
Chemical Identifiers
| CAS Number | 245039-38-7 |
|---|---|
| SMILES | CC1=C(C(=O)N(N1)C2=NC(=CS2)C3=CC=C(C=C3)OC)C(=CC(=O)C)O |
Product Overview
(2Z)-3-hydroxy-1-{5-hydroxy-1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-methyl-1H-pyrazol-4-yl}but-2-en-1-one (CAS 245039-38-7), with molecular formula C18H17N3O4S and molecular weight 371.09 g/mol. IUPAC: 4-(1-hydroxy-3-oxobut-1-enyl)-2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5-methyl-1H-pyrazol-3-one.
Chemical Property Profile of (2Z)-3-hydroxy-1-{5-hydroxy-1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-methyl-1H-pyrazol-4-yl}but-2-en-1-one
Property Insights of (2Z)-3-hydroxy-1-{5-hydroxy-1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-methyl-1H-pyrazol-4-yl}but-2-en-1-one
The XLogP value of 3.09402 indicates that (2Z)-3-hydroxy-1-{5-hydroxy-1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-methyl-1H-pyrazol-4-yl}but-2-en-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.21 Ų falls within the moderate polarity range, balancing permeability and solubility for (2Z)-3-hydroxy-1-{5-hydroxy-1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-methyl-1H-pyrazol-4-yl}but-2-en-1-one. Following Lipinski's Rule of Five, (2Z)-3-hydroxy-1-{5-hydroxy-1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-methyl-1H-pyrazol-4-yl}but-2-en-1-one has 2 hydrogen bond donor(s) and 6 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)-3-hydroxy-1-{5-hydroxy-1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-methyl-1H-pyrazol-4-yl}but-2-en-1-one?
The CAS number of (2Z)-3-hydroxy-1-{5-hydroxy-1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-methyl-1H-pyrazol-4-yl}but-2-en-1-one is 245039-38-7.
What is the molecular formula of (2Z)-3-hydroxy-1-{5-hydroxy-1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-methyl-1H-pyrazol-4-yl}but-2-en-1-one?
The molecular formula of (2Z)-3-hydroxy-1-{5-hydroxy-1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-methyl-1H-pyrazol-4-yl}but-2-en-1-one is C18H17N3O4S.
What is the molecular weight of (2Z)-3-hydroxy-1-{5-hydroxy-1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-methyl-1H-pyrazol-4-yl}but-2-en-1-one?
The molecular weight of (2Z)-3-hydroxy-1-{5-hydroxy-1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-methyl-1H-pyrazol-4-yl}but-2-en-1-one is 371.09 g/mol.
Where can I buy (2Z)-3-hydroxy-1-{5-hydroxy-1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-methyl-1H-pyrazol-4-yl}but-2-en-1-one?
You can request a quote for (2Z)-3-hydroxy-1-{5-hydroxy-1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-methyl-1H-pyrazol-4-yl}but-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)-3-hydroxy-1-{5-hydroxy-1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-methyl-1H-pyrazol-4-yl}but-2-en-1-one?
Yes, KEHONG BIO provides custom synthesis services for (2Z)-3-hydroxy-1-{5-hydroxy-1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-methyl-1H-pyrazol-4-yl}but-2-en-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.