![3-[[4-[2-(3-Methyl-4-nitro-5-isoxazolyl)ethenyl]phenoxy]methyl]-2-thiophenecarbonitrile structure](/static/products/2564/256471-06-4.webp)
3-[[4-[2-(3-Methyl-4-nitro-5-isoxazolyl)ethenyl]phenoxy]methyl]-2-thiophenecarbonitrile
TL;DR: 3-[[4-[2-(3-Methyl-4-nitro-5-isoxazolyl)ethenyl]phenoxy]methyl]-2-thiophenecarbonitrile (CAS 256471-06-4) is a chemical compound with molecular formula C18H13N3O4S and molecular weight 367.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[4-[2-(3-methyl-4-nitro-1,2-oxazol-5-yl)ethenyl]phenoxy]methyl]thiophene-2-carbonitrile
Also Known As: 3-[[4-[2-(3-Methyl-4-nitro-5-isoxazolyl)ethenyl]phenoxy]methyl]-2-thiophenecarbonitrile, 3-({4-[2-(3-Methyl-4-nitro-1,2-oxazol-5-yl)ethenyl]phenoxy}methyl)thiophene-2-carbonitrile, 3-[[4-[2-(3-methyl-4-nitro-1,2-oxazol-5-yl)ethenyl]phenoxy]methyl]thiophene-2-carbonitrile
| Molecular Formula | C18H13N3O4S |
|---|---|
| Molecular Weight | 367.06 g/mol |
| LogP | 4.5738 |
| Topological Polar Surface Area | 102.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 367.06268 |
| Heavy Atoms | 26 |
| Complexity | 996.36536 |
Chemical Identifiers
| CAS Number | 256471-06-4 |
|---|---|
| SMILES | CC1=NOC(=C1[N+](=O)[O-])C=CC2=CC=C(C=C2)OCC3=C(SC=C3)C#N |
Product Overview
3-[[4-[2-(3-Methyl-4-nitro-5-isoxazolyl)ethenyl]phenoxy]methyl]-2-thiophenecarbonitrile (CAS 256471-06-4), with molecular formula C18H13N3O4S and molecular weight 367.06 g/mol. IUPAC: 3-[[4-[2-(3-methyl-4-nitro-1,2-oxazol-5-yl)ethenyl]phenoxy]methyl]thiophene-2-carbonitrile.
Chemical Property Profile of 3-[[4-[2-(3-Methyl-4-nitro-5-isoxazolyl)ethenyl]phenoxy]methyl]-2-thiophenecarbonitrile
Property Insights of 3-[[4-[2-(3-Methyl-4-nitro-5-isoxazolyl)ethenyl]phenoxy]methyl]-2-thiophenecarbonitrile
The XLogP value of 4.5738 indicates that 3-[[4-[2-(3-Methyl-4-nitro-5-isoxazolyl)ethenyl]phenoxy]methyl]-2-thiophenecarbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 102.19 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[[4-[2-(3-Methyl-4-nitro-5-isoxazolyl)ethenyl]phenoxy]methyl]-2-thiophenecarbonitrile. Following Lipinski's Rule of Five, 3-[[4-[2-(3-Methyl-4-nitro-5-isoxazolyl)ethenyl]phenoxy]methyl]-2-thiophenecarbonitrile has 0 hydrogen bond donor(s) and 7 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 3-[[4-[2-(3-Methyl-4-nitro-5-isoxazolyl)ethenyl]phenoxy]methyl]-2-thiophenecarbonitrile?
The CAS number of 3-[[4-[2-(3-Methyl-4-nitro-5-isoxazolyl)ethenyl]phenoxy]methyl]-2-thiophenecarbonitrile is 256471-06-4.
What is the molecular formula of 3-[[4-[2-(3-Methyl-4-nitro-5-isoxazolyl)ethenyl]phenoxy]methyl]-2-thiophenecarbonitrile?
The molecular formula of 3-[[4-[2-(3-Methyl-4-nitro-5-isoxazolyl)ethenyl]phenoxy]methyl]-2-thiophenecarbonitrile is C18H13N3O4S.
What is the molecular weight of 3-[[4-[2-(3-Methyl-4-nitro-5-isoxazolyl)ethenyl]phenoxy]methyl]-2-thiophenecarbonitrile?
The molecular weight of 3-[[4-[2-(3-Methyl-4-nitro-5-isoxazolyl)ethenyl]phenoxy]methyl]-2-thiophenecarbonitrile is 367.06 g/mol.
Where can I buy 3-[[4-[2-(3-Methyl-4-nitro-5-isoxazolyl)ethenyl]phenoxy]methyl]-2-thiophenecarbonitrile?
You can request a quote for 3-[[4-[2-(3-Methyl-4-nitro-5-isoxazolyl)ethenyl]phenoxy]methyl]-2-thiophenecarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[[4-[2-(3-Methyl-4-nitro-5-isoxazolyl)ethenyl]phenoxy]methyl]-2-thiophenecarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-[[4-[2-(3-Methyl-4-nitro-5-isoxazolyl)ethenyl]phenoxy]methyl]-2-thiophenecarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.