![Methyl 3-[[2-(3-methyl-4-nitro-5-isoxazolyl)ethenyl]amino]-2-thiophenecarboxylate structure](/static/products/2407/240799-51-3.webp)
Methyl 3-[[2-(3-methyl-4-nitro-5-isoxazolyl)ethenyl]amino]-2-thiophenecarboxylate
TL;DR: Methyl 3-[[2-(3-methyl-4-nitro-5-isoxazolyl)ethenyl]amino]-2-thiophenecarboxylate (CAS 240799-51-3) is a chemical compound with molecular formula C12H11N3O5S and molecular weight 309.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-[2-(3-methyl-4-nitro-1,2-oxazol-5-yl)ethenylamino]thiophene-2-carboxylate
Also Known As: Methyl 3-[[2-(3-methyl-4-nitro-5-isoxazolyl)ethenyl]amino]-2-thiophenecarboxylate, methyl 3-[2-(3-methyl-4-nitro-1,2-oxazol-5-yl)ethenylamino]thiophene-2-carboxylate, methyl 3-{[2-(3-methyl-4-nitro-5-isoxazolyl)vinyl]amino}-2-thiophenecarboxylate, METHYL 3-{[2-(3-METHYL-4-NITRO-1,2-OXAZOL-5-YL)ETHENYL]AMINO}THIOPHENE-2-CARBOXYLATE
| Molecular Formula | C12H11N3O5S |
|---|---|
| Molecular Weight | 309.04 g/mol |
| LogP | 2.82212 |
| Topological Polar Surface Area | 107.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 309.04193 |
| Heavy Atoms | 21 |
| Complexity | 703.5664 |
Chemical Identifiers
| CAS Number | 240799-51-3 |
|---|---|
| SMILES | CC1=NOC(=C1[N+](=O)[O-])C=CNC2=C(SC=C2)C(=O)OC |
Product Overview
Methyl 3-[[2-(3-methyl-4-nitro-5-isoxazolyl)ethenyl]amino]-2-thiophenecarboxylate (CAS 240799-51-3), with molecular formula C12H11N3O5S and molecular weight 309.04 g/mol. IUPAC: methyl 3-[2-(3-methyl-4-nitro-1,2-oxazol-5-yl)ethenylamino]thiophene-2-carboxylate.
Chemical Property Profile of Methyl 3-[[2-(3-methyl-4-nitro-5-isoxazolyl)ethenyl]amino]-2-thiophenecarboxylate
Property Insights of Methyl 3-[[2-(3-methyl-4-nitro-5-isoxazolyl)ethenyl]amino]-2-thiophenecarboxylate
The XLogP value of 2.82212 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-[[2-(3-methyl-4-nitro-5-isoxazolyl)ethenyl]amino]-2-thiophenecarboxylate. The TPSA of 107.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 3-[[2-(3-methyl-4-nitro-5-isoxazolyl)ethenyl]amino]-2-thiophenecarboxylate. Following Lipinski's Rule of Five, Methyl 3-[[2-(3-methyl-4-nitro-5-isoxazolyl)ethenyl]amino]-2-thiophenecarboxylate has 1 hydrogen bond donor(s) and 8 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 Methyl 3-[[2-(3-methyl-4-nitro-5-isoxazolyl)ethenyl]amino]-2-thiophenecarboxylate?
The CAS number of Methyl 3-[[2-(3-methyl-4-nitro-5-isoxazolyl)ethenyl]amino]-2-thiophenecarboxylate is 240799-51-3.
What is the molecular formula of Methyl 3-[[2-(3-methyl-4-nitro-5-isoxazolyl)ethenyl]amino]-2-thiophenecarboxylate?
The molecular formula of Methyl 3-[[2-(3-methyl-4-nitro-5-isoxazolyl)ethenyl]amino]-2-thiophenecarboxylate is C12H11N3O5S.
What is the molecular weight of Methyl 3-[[2-(3-methyl-4-nitro-5-isoxazolyl)ethenyl]amino]-2-thiophenecarboxylate?
The molecular weight of Methyl 3-[[2-(3-methyl-4-nitro-5-isoxazolyl)ethenyl]amino]-2-thiophenecarboxylate is 309.04 g/mol.
Where can I buy Methyl 3-[[2-(3-methyl-4-nitro-5-isoxazolyl)ethenyl]amino]-2-thiophenecarboxylate?
You can request a quote for Methyl 3-[[2-(3-methyl-4-nitro-5-isoxazolyl)ethenyl]amino]-2-thiophenecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-[[2-(3-methyl-4-nitro-5-isoxazolyl)ethenyl]amino]-2-thiophenecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-[[2-(3-methyl-4-nitro-5-isoxazolyl)ethenyl]amino]-2-thiophenecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.