![[[4-[Cyano(phenyl)methylidene]cyclohexa-2,5-dien-1-ylidene]amino] benzoate structure](/static/products/7455/745-58-4.webp)
[[4-[Cyano(phenyl)methylidene]cyclohexa-2,5-dien-1-ylidene]amino] benzoate
TL;DR: [[4-[Cyano(phenyl)methylidene]cyclohexa-2,5-dien-1-ylidene]amino] benzoate (CAS 745-58-4) is a chemical compound with molecular formula C21H14N2O2 and molecular weight 326.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[[4-[cyano(phenyl)methylidene]cyclohexa-2,5-dien-1-ylidene]amino] benzoate
Also Known As: [[4-[cyano(phenyl)methylidene]cyclohexa-2,5-dien-1-ylidene]amino] benzoate|(2Z)-{(4Z)-4-[(Benzoyloxy)imino]cyclohexa-2,5-dien-1-ylidene}(phenyl)acetonitrile
| Molecular Formula | C21H14N2O2 |
|---|---|
| Molecular Weight | 326.11 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 62.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 326.10553 |
| Heavy Atoms | 25 |
| Complexity | 645.0 |
Chemical Identifiers
| CAS Number | 745-58-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=C2C=CC(=NOC(=O)C3=CC=CC=C3)C=C2)C#N |
| InChIKey | CAIPJWCAKXRAFR-UHFFFAOYSA-N |
Product Overview
[[4-[Cyano(phenyl)methylidene]cyclohexa-2,5-dien-1-ylidene]amino] benzoate (CAS 745-58-4), with molecular formula C21H14N2O2 and molecular weight 326.11 g/mol. IUPAC: [[4-[cyano(phenyl)methylidene]cyclohexa-2,5-dien-1-ylidene]amino] benzoate.
Chemical Property Profile of [[4-[Cyano(phenyl)methylidene]cyclohexa-2,5-dien-1-ylidene]amino] benzoate
Property Insights of [[4-[Cyano(phenyl)methylidene]cyclohexa-2,5-dien-1-ylidene]amino] benzoate
The XLogP value of 4.2 indicates that [[4-[Cyano(phenyl)methylidene]cyclohexa-2,5-dien-1-ylidene]amino] benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.5 Ų falls within the moderate polarity range, balancing permeability and solubility for [[4-[Cyano(phenyl)methylidene]cyclohexa-2,5-dien-1-ylidene]amino] benzoate. Following Lipinski's Rule of Five, [[4-[Cyano(phenyl)methylidene]cyclohexa-2,5-dien-1-ylidene]amino] benzoate has 0 hydrogen bond donor(s) and 4 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-[Cyano(phenyl)methylidene]cyclohexa-2,5-dien-1-ylidene]amino] benzoate?
The CAS number of [[4-[Cyano(phenyl)methylidene]cyclohexa-2,5-dien-1-ylidene]amino] benzoate is 745-58-4.
What is the molecular formula of [[4-[Cyano(phenyl)methylidene]cyclohexa-2,5-dien-1-ylidene]amino] benzoate?
The molecular formula of [[4-[Cyano(phenyl)methylidene]cyclohexa-2,5-dien-1-ylidene]amino] benzoate is C21H14N2O2.
What is the molecular weight of [[4-[Cyano(phenyl)methylidene]cyclohexa-2,5-dien-1-ylidene]amino] benzoate?
The molecular weight of [[4-[Cyano(phenyl)methylidene]cyclohexa-2,5-dien-1-ylidene]amino] benzoate is 326.11 g/mol.
Where can I buy [[4-[Cyano(phenyl)methylidene]cyclohexa-2,5-dien-1-ylidene]amino] benzoate?
You can request a quote for [[4-[Cyano(phenyl)methylidene]cyclohexa-2,5-dien-1-ylidene]amino] benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [[4-[Cyano(phenyl)methylidene]cyclohexa-2,5-dien-1-ylidene]amino] benzoate?
Yes, KEHONG BIO provides custom synthesis services for [[4-[Cyano(phenyl)methylidene]cyclohexa-2,5-dien-1-ylidene]amino] benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.