![5-[2-(3-Chloro-1-benzothiophen-2-yl)vinyl]-3-methyl-4-nitroisoxazole structure](/static/products/4778/477868-37-4.webp)
5-[2-(3-Chloro-1-benzothiophen-2-yl)vinyl]-3-methyl-4-nitroisoxazole
TL;DR: 5-[2-(3-Chloro-1-benzothiophen-2-yl)vinyl]-3-methyl-4-nitroisoxazole (CAS 477868-37-4) is a chemical compound with molecular formula C14H9ClN2O3S and molecular weight 320.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[2-(3-chloro-1-benzothiophen-2-yl)ethenyl]-3-methyl-4-nitro-1,2-oxazole
Also Known As: 5-[2-(3-chloro-1-benzothiophen-2-yl)vinyl]-3-methyl-4-nitroisoxazole, 5-[2-(3-chloro-1-benzothiophen-2-yl)ethenyl]-3-methyl-4-nitro-1,2-oxazole
| Molecular Formula | C14H9ClN2O3S |
|---|---|
| Molecular Weight | 320.00 g/mol |
| LogP | 4.92972 |
| Topological Polar Surface Area | 69.17 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 320.00223 |
| Heavy Atoms | 21 |
| Complexity | 866.3567 |
Chemical Identifiers
| CAS Number | 477868-37-4 |
|---|---|
| SMILES | CC1=NOC(=C1[N+](=O)[O-])C=CC2=C(C3=CC=CC=C3S2)Cl |
Product Overview
5-[2-(3-Chloro-1-benzothiophen-2-yl)vinyl]-3-methyl-4-nitroisoxazole (CAS 477868-37-4), with molecular formula C14H9ClN2O3S and molecular weight 320.00 g/mol. IUPAC: 5-[2-(3-chloro-1-benzothiophen-2-yl)ethenyl]-3-methyl-4-nitro-1,2-oxazole.
Chemical Property Profile of 5-[2-(3-Chloro-1-benzothiophen-2-yl)vinyl]-3-methyl-4-nitroisoxazole
Property Insights of 5-[2-(3-Chloro-1-benzothiophen-2-yl)vinyl]-3-methyl-4-nitroisoxazole
The XLogP value of 4.92972 indicates that 5-[2-(3-Chloro-1-benzothiophen-2-yl)vinyl]-3-methyl-4-nitroisoxazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.17 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-[2-(3-Chloro-1-benzothiophen-2-yl)vinyl]-3-methyl-4-nitroisoxazole. Following Lipinski's Rule of Five, 5-[2-(3-Chloro-1-benzothiophen-2-yl)vinyl]-3-methyl-4-nitroisoxazole has 0 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 5-[2-(3-Chloro-1-benzothiophen-2-yl)vinyl]-3-methyl-4-nitroisoxazole?
The CAS number of 5-[2-(3-Chloro-1-benzothiophen-2-yl)vinyl]-3-methyl-4-nitroisoxazole is 477868-37-4.
What is the molecular formula of 5-[2-(3-Chloro-1-benzothiophen-2-yl)vinyl]-3-methyl-4-nitroisoxazole?
The molecular formula of 5-[2-(3-Chloro-1-benzothiophen-2-yl)vinyl]-3-methyl-4-nitroisoxazole is C14H9ClN2O3S.
What is the molecular weight of 5-[2-(3-Chloro-1-benzothiophen-2-yl)vinyl]-3-methyl-4-nitroisoxazole?
The molecular weight of 5-[2-(3-Chloro-1-benzothiophen-2-yl)vinyl]-3-methyl-4-nitroisoxazole is 320.00 g/mol.
Where can I buy 5-[2-(3-Chloro-1-benzothiophen-2-yl)vinyl]-3-methyl-4-nitroisoxazole?
You can request a quote for 5-[2-(3-Chloro-1-benzothiophen-2-yl)vinyl]-3-methyl-4-nitroisoxazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-[2-(3-Chloro-1-benzothiophen-2-yl)vinyl]-3-methyl-4-nitroisoxazole?
Yes, KEHONG BIO provides custom synthesis services for 5-[2-(3-Chloro-1-benzothiophen-2-yl)vinyl]-3-methyl-4-nitroisoxazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.