![2-{[(E)-(5-nitrothiophen-2-yl)methylidene]amino}hexahydro-4,6-ethenocyclopropa[f]isoindole-1,3(2H,3aH)-dione structure](/static/products/473/473708-89-3.png)
2-{[(E)-(5-nitrothiophen-2-yl)methylidene]amino}hexahydro-4,6-ethenocyclopropa[f]isoindole-1,3(2H,3aH)-dione
TL;DR: 2-{[(E)-(5-nitrothiophen-2-yl)methylidene]amino}hexahydro-4,6-ethenocyclopropa[f]isoindole-1,3(2H,3aH)-dione (CAS 473708-89-3) is a chemical compound with molecular formula C16H13N3O4S and molecular weight 343.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(E)-(5-nitrothiophen-2-yl)methylideneamino]-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-ene-3,5-dione
Also Known As: 2-{[(E)-(5-nitrothiophen-2-yl)methylidene]amino}hexahydro-4,6-ethenocyclopropa[f]isoindole-1,3(2H,3aH)-dione, 4-{[(5-nitro-2-thienyl)methylene]amino}-4-azatetracyclo[5.3.2.0~2,6~.0~8,10~]dodec-11-ene-3,5-dione, 2-(((5-Nitrothiophen-2-yl)methylene)amino)-4,4a,5,5a,6,6a-hexahydro-4,6-ethenocyclopropa[f]isoindole-1,3(2H,3aH)-dione, 4-[(1E)-2-(5-nitro(2-thienyl))-1-azavinyl]-4-azatetracyclo[5.3.2.0<2,6>.0<8,10 >]dodec-11-ene-3,5-dione
| Molecular Formula | C16H13N3O4S |
|---|---|
| Molecular Weight | 343.06 g/mol |
| LogP | 2.0433 |
| Topological Polar Surface Area | 92.88 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 343.06268 |
| Heavy Atoms | 24 |
| Complexity | 808.1305 |
Chemical Identifiers
| CAS Number | 473708-89-3 |
|---|---|
| SMILES | C1C2C1C3C=CC2C4C3C(=O)N(C4=O)/N=C/C5=CC=C(S5)[N+](=O)[O-] |
Product Overview
2-{[(E)-(5-nitrothiophen-2-yl)methylidene]amino}hexahydro-4,6-ethenocyclopropa[f]isoindole-1,3(2H,3aH)-dione (CAS 473708-89-3), with molecular formula C16H13N3O4S and molecular weight 343.06 g/mol. IUPAC: 4-[(E)-(5-nitrothiophen-2-yl)methylideneamino]-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-ene-3,5-dione.
Chemical Property Profile of 2-{[(E)-(5-nitrothiophen-2-yl)methylidene]amino}hexahydro-4,6-ethenocyclopropa[f]isoindole-1,3(2H,3aH)-dione
Property Insights of 2-{[(E)-(5-nitrothiophen-2-yl)methylidene]amino}hexahydro-4,6-ethenocyclopropa[f]isoindole-1,3(2H,3aH)-dione
The XLogP value of 2.0433 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-{[(E)-(5-nitrothiophen-2-yl)methylidene]amino}hexahydro-4,6-ethenocyclopropa[f]isoindole-1,3(2H,3aH)-dione. The TPSA of 92.88 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{[(E)-(5-nitrothiophen-2-yl)methylidene]amino}hexahydro-4,6-ethenocyclopropa[f]isoindole-1,3(2H,3aH)-dione. Following Lipinski's Rule of Five, 2-{[(E)-(5-nitrothiophen-2-yl)methylidene]amino}hexahydro-4,6-ethenocyclopropa[f]isoindole-1,3(2H,3aH)-dione has 0 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 2-{[(E)-(5-nitrothiophen-2-yl)methylidene]amino}hexahydro-4,6-ethenocyclopropa[f]isoindole-1,3(2H,3aH)-dione?
The CAS number of 2-{[(E)-(5-nitrothiophen-2-yl)methylidene]amino}hexahydro-4,6-ethenocyclopropa[f]isoindole-1,3(2H,3aH)-dione is 473708-89-3.
What is the molecular formula of 2-{[(E)-(5-nitrothiophen-2-yl)methylidene]amino}hexahydro-4,6-ethenocyclopropa[f]isoindole-1,3(2H,3aH)-dione?
The molecular formula of 2-{[(E)-(5-nitrothiophen-2-yl)methylidene]amino}hexahydro-4,6-ethenocyclopropa[f]isoindole-1,3(2H,3aH)-dione is C16H13N3O4S.
What is the molecular weight of 2-{[(E)-(5-nitrothiophen-2-yl)methylidene]amino}hexahydro-4,6-ethenocyclopropa[f]isoindole-1,3(2H,3aH)-dione?
The molecular weight of 2-{[(E)-(5-nitrothiophen-2-yl)methylidene]amino}hexahydro-4,6-ethenocyclopropa[f]isoindole-1,3(2H,3aH)-dione is 343.06 g/mol.
Where can I buy 2-{[(E)-(5-nitrothiophen-2-yl)methylidene]amino}hexahydro-4,6-ethenocyclopropa[f]isoindole-1,3(2H,3aH)-dione?
You can request a quote for 2-{[(E)-(5-nitrothiophen-2-yl)methylidene]amino}hexahydro-4,6-ethenocyclopropa[f]isoindole-1,3(2H,3aH)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-{[(E)-(5-nitrothiophen-2-yl)methylidene]amino}hexahydro-4,6-ethenocyclopropa[f]isoindole-1,3(2H,3aH)-dione?
Yes, KEHONG BIO provides custom synthesis services for 2-{[(E)-(5-nitrothiophen-2-yl)methylidene]amino}hexahydro-4,6-ethenocyclopropa[f]isoindole-1,3(2H,3aH)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.