![1-(4-chlorophenyl)-3-{2-[2-(3-methyl-4-nitroisoxazol-5-yl)vinyl]-3-thienyl}prop-2-en-1-one structure](/static/products/2563/256353-68-1.webp)
1-(4-chlorophenyl)-3-{2-[2-(3-methyl-4-nitroisoxazol-5-yl)vinyl]-3-thienyl}prop-2-en-1-one
TL;DR: 1-(4-chlorophenyl)-3-{2-[2-(3-methyl-4-nitroisoxazol-5-yl)vinyl]-3-thienyl}prop-2-en-1-one (CAS 256353-68-1) is a chemical compound with molecular formula C19H13ClN2O4S and molecular weight 400.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-chlorophenyl)-3-[2-[2-(3-methyl-4-nitro-1,2-oxazol-5-yl)ethenyl]thiophen-3-yl]prop-2-en-1-one
Also Known As: 1-(4-chlorophenyl)-3-{2-[2-(3-methyl-4-nitroisoxazol-5-yl)vinyl]-3-thienyl}prop-2-en-1-one, 1-(4-chlorophenyl)-3-[2-[2-(3-methyl-4-nitro-1,2-oxazol-5-yl)ethenyl]thiophen-3-yl]prop-2-en-1-one
| Molecular Formula | C19H13ClN2O4S |
|---|---|
| Molecular Weight | 400.03 g/mol |
| LogP | 5.67262 |
| Topological Polar Surface Area | 86.24 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 400.02844 |
| Heavy Atoms | 27 |
| Complexity | 1048.1066 |
Chemical Identifiers
| CAS Number | 256353-68-1 |
|---|---|
| SMILES | CC1=NOC(=C1[N+](=O)[O-])C=CC2=C(C=CS2)C=CC(=O)C3=CC=C(C=C3)Cl |
Product Overview
1-(4-chlorophenyl)-3-{2-[2-(3-methyl-4-nitroisoxazol-5-yl)vinyl]-3-thienyl}prop-2-en-1-one (CAS 256353-68-1), with molecular formula C19H13ClN2O4S and molecular weight 400.03 g/mol. IUPAC: 1-(4-chlorophenyl)-3-[2-[2-(3-methyl-4-nitro-1,2-oxazol-5-yl)ethenyl]thiophen-3-yl]prop-2-en-1-one.
Chemical Property Profile of 1-(4-chlorophenyl)-3-{2-[2-(3-methyl-4-nitroisoxazol-5-yl)vinyl]-3-thienyl}prop-2-en-1-one
Property Insights of 1-(4-chlorophenyl)-3-{2-[2-(3-methyl-4-nitroisoxazol-5-yl)vinyl]-3-thienyl}prop-2-en-1-one
The XLogP value of 5.67262 indicates that 1-(4-chlorophenyl)-3-{2-[2-(3-methyl-4-nitroisoxazol-5-yl)vinyl]-3-thienyl}prop-2-en-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.24 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-chlorophenyl)-3-{2-[2-(3-methyl-4-nitroisoxazol-5-yl)vinyl]-3-thienyl}prop-2-en-1-one. Following Lipinski's Rule of Five, 1-(4-chlorophenyl)-3-{2-[2-(3-methyl-4-nitroisoxazol-5-yl)vinyl]-3-thienyl}prop-2-en-1-one has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-(4-chlorophenyl)-3-{2-[2-(3-methyl-4-nitroisoxazol-5-yl)vinyl]-3-thienyl}prop-2-en-1-one?
The CAS number of 1-(4-chlorophenyl)-3-{2-[2-(3-methyl-4-nitroisoxazol-5-yl)vinyl]-3-thienyl}prop-2-en-1-one is 256353-68-1.
What is the molecular formula of 1-(4-chlorophenyl)-3-{2-[2-(3-methyl-4-nitroisoxazol-5-yl)vinyl]-3-thienyl}prop-2-en-1-one?
The molecular formula of 1-(4-chlorophenyl)-3-{2-[2-(3-methyl-4-nitroisoxazol-5-yl)vinyl]-3-thienyl}prop-2-en-1-one is C19H13ClN2O4S.
What is the molecular weight of 1-(4-chlorophenyl)-3-{2-[2-(3-methyl-4-nitroisoxazol-5-yl)vinyl]-3-thienyl}prop-2-en-1-one?
The molecular weight of 1-(4-chlorophenyl)-3-{2-[2-(3-methyl-4-nitroisoxazol-5-yl)vinyl]-3-thienyl}prop-2-en-1-one is 400.03 g/mol.
Where can I buy 1-(4-chlorophenyl)-3-{2-[2-(3-methyl-4-nitroisoxazol-5-yl)vinyl]-3-thienyl}prop-2-en-1-one?
You can request a quote for 1-(4-chlorophenyl)-3-{2-[2-(3-methyl-4-nitroisoxazol-5-yl)vinyl]-3-thienyl}prop-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 1-(4-chlorophenyl)-3-{2-[2-(3-methyl-4-nitroisoxazol-5-yl)vinyl]-3-thienyl}prop-2-en-1-one?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-chlorophenyl)-3-{2-[2-(3-methyl-4-nitroisoxazol-5-yl)vinyl]-3-thienyl}prop-2-en-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.