![(6E)-6-[5-(3-nitrophenyl)-3H-1,3,4-oxadiazol-2-ylidene]cyclohexa-2,4-dien-1-one structure](/static/products/834/83431-79-2.png)
(6E)-6-[5-(3-nitrophenyl)-3H-1,3,4-oxadiazol-2-ylidene]cyclohexa-2,4-dien-1-one
TL;DR: (6E)-6-[5-(3-nitrophenyl)-3H-1,3,4-oxadiazol-2-ylidene]cyclohexa-2,4-dien-1-one (CAS 83431-79-2) is a chemical compound with molecular formula C14H9N3O4 and molecular weight 283.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[5-(3-nitrophenyl)-1,3,4-oxadiazol-2-yl]phenol
Also Known As: 2-[5-(3-NITROPHENYL)-1,3,4-OXADIAZOL-2-YL]PHENOL, (6E)-6-[5-(3-nitrophenyl)-3H-1,3,4-oxadiazol-2-ylidene]cyclohexa-2,4-dien-1-one, AB00111466-01, (6E)-6-[5-(3-nitrophenyl)-3H-1,3,4-oxadiazol-2-ylidene]cyclo, (6E)-6-[5-(3-Nitrophenyl)-1,3,4-oxadiazol-2(3H)-ylidene]cyclohexa-2,4-dien-1-one
| Molecular Formula | C14H9N3O4 |
|---|---|
| Molecular Weight | 283.06 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 105.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 283.0593 |
| Heavy Atoms | 21 |
| Complexity | 376.0 |
Chemical Identifiers
| CAS Number | 83431-79-2 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C2=NN=C(O2)C3=CC(=CC=C3)[N+](=O)[O-])O |
| InChIKey | XFRLJSFCMDGDLA-UHFFFAOYSA-N |
Product Overview
(6E)-6-[5-(3-nitrophenyl)-3H-1,3,4-oxadiazol-2-ylidene]cyclohexa-2,4-dien-1-one (CAS 83431-79-2), with molecular formula C14H9N3O4 and molecular weight 283.06 g/mol. IUPAC: 2-[5-(3-nitrophenyl)-1,3,4-oxadiazol-2-yl]phenol.
Chemical Property Profile of (6E)-6-[5-(3-nitrophenyl)-3H-1,3,4-oxadiazol-2-ylidene]cyclohexa-2,4-dien-1-one
Property Insights of (6E)-6-[5-(3-nitrophenyl)-3H-1,3,4-oxadiazol-2-ylidene]cyclohexa-2,4-dien-1-one
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (6E)-6-[5-(3-nitrophenyl)-3H-1,3,4-oxadiazol-2-ylidene]cyclohexa-2,4-dien-1-one. The TPSA of 105.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (6E)-6-[5-(3-nitrophenyl)-3H-1,3,4-oxadiazol-2-ylidene]cyclohexa-2,4-dien-1-one. Following Lipinski's Rule of Five, (6E)-6-[5-(3-nitrophenyl)-3H-1,3,4-oxadiazol-2-ylidene]cyclohexa-2,4-dien-1-one has 1 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 (6E)-6-[5-(3-nitrophenyl)-3H-1,3,4-oxadiazol-2-ylidene]cyclohexa-2,4-dien-1-one?
The CAS number of (6E)-6-[5-(3-nitrophenyl)-3H-1,3,4-oxadiazol-2-ylidene]cyclohexa-2,4-dien-1-one is 83431-79-2.
What is the molecular formula of (6E)-6-[5-(3-nitrophenyl)-3H-1,3,4-oxadiazol-2-ylidene]cyclohexa-2,4-dien-1-one?
The molecular formula of (6E)-6-[5-(3-nitrophenyl)-3H-1,3,4-oxadiazol-2-ylidene]cyclohexa-2,4-dien-1-one is C14H9N3O4.
What is the molecular weight of (6E)-6-[5-(3-nitrophenyl)-3H-1,3,4-oxadiazol-2-ylidene]cyclohexa-2,4-dien-1-one?
The molecular weight of (6E)-6-[5-(3-nitrophenyl)-3H-1,3,4-oxadiazol-2-ylidene]cyclohexa-2,4-dien-1-one is 283.06 g/mol.
Where can I buy (6E)-6-[5-(3-nitrophenyl)-3H-1,3,4-oxadiazol-2-ylidene]cyclohexa-2,4-dien-1-one?
You can request a quote for (6E)-6-[5-(3-nitrophenyl)-3H-1,3,4-oxadiazol-2-ylidene]cyclohexa-2,4-dien-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (6E)-6-[5-(3-nitrophenyl)-3H-1,3,4-oxadiazol-2-ylidene]cyclohexa-2,4-dien-1-one?
Yes, KEHONG BIO provides custom synthesis services for (6E)-6-[5-(3-nitrophenyl)-3H-1,3,4-oxadiazol-2-ylidene]cyclohexa-2,4-dien-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.