(4-Phenylbut-3-en-2-ylideneamino) 4-nitrobenzoate
TL;DR: (4-Phenylbut-3-en-2-ylideneamino) 4-nitrobenzoate (CAS 314766-76-2) is a chemical compound with molecular formula C17H14N2O4 and molecular weight 310.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-phenylbut-3-en-2-ylideneamino) 4-nitrobenzoate
Also Known As: 4-phenyl-3-buten-2-one O-{4-nitrobenzoyl}oxime, (4-phenylbut-3-en-2-ylideneamino) 4-nitrobenzoate, (Z)-[(3E)-4-PHENYLBUT-3-EN-2-YLIDENE]AMINO 4-NITROBENZOATE
| Molecular Formula | C17H14N2O4 |
|---|---|
| Molecular Weight | 310.10 g/mol |
| LogP | 3.8409 |
| Topological Polar Surface Area | 81.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 310.09537 |
| Heavy Atoms | 23 |
| Complexity | 749.92267 |
Chemical Identifiers
| CAS Number | 314766-76-2 |
|---|---|
| SMILES | CC(=NOC(=O)C1=CC=C(C=C1)[N+](=O)[O-])C=CC2=CC=CC=C2 |
Product Overview
(4-Phenylbut-3-en-2-ylideneamino) 4-nitrobenzoate (CAS 314766-76-2), with molecular formula C17H14N2O4 and molecular weight 310.10 g/mol. IUPAC: (4-phenylbut-3-en-2-ylideneamino) 4-nitrobenzoate.
Chemical Property Profile of (4-Phenylbut-3-en-2-ylideneamino) 4-nitrobenzoate
Property Insights of (4-Phenylbut-3-en-2-ylideneamino) 4-nitrobenzoate
The XLogP value of 3.8409 indicates that (4-Phenylbut-3-en-2-ylideneamino) 4-nitrobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.8 Ų falls within the moderate polarity range, balancing permeability and solubility for (4-Phenylbut-3-en-2-ylideneamino) 4-nitrobenzoate. Following Lipinski's Rule of Five, (4-Phenylbut-3-en-2-ylideneamino) 4-nitrobenzoate 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 (4-Phenylbut-3-en-2-ylideneamino) 4-nitrobenzoate?
The CAS number of (4-Phenylbut-3-en-2-ylideneamino) 4-nitrobenzoate is 314766-76-2.
What is the molecular formula of (4-Phenylbut-3-en-2-ylideneamino) 4-nitrobenzoate?
The molecular formula of (4-Phenylbut-3-en-2-ylideneamino) 4-nitrobenzoate is C17H14N2O4.
What is the molecular weight of (4-Phenylbut-3-en-2-ylideneamino) 4-nitrobenzoate?
The molecular weight of (4-Phenylbut-3-en-2-ylideneamino) 4-nitrobenzoate is 310.10 g/mol.
Where can I buy (4-Phenylbut-3-en-2-ylideneamino) 4-nitrobenzoate?
You can request a quote for (4-Phenylbut-3-en-2-ylideneamino) 4-nitrobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-Phenylbut-3-en-2-ylideneamino) 4-nitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for (4-Phenylbut-3-en-2-ylideneamino) 4-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.