![[(E)-[amino-(4-nitrophenyl)methylidene]amino] 4-chlorobenzoate structure](/static/products/6845/68451-89-8.webp)
[(E)-[amino-(4-nitrophenyl)methylidene]amino] 4-chlorobenzoate
TL;DR: [(E)-[amino-(4-nitrophenyl)methylidene]amino] 4-chlorobenzoate (CAS 68451-89-8) is a chemical compound with molecular formula C14H10ClN3O4 and molecular weight 319.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(E)-[amino-(4-nitrophenyl)methylidene]amino] 4-chlorobenzoate
Also Known As: N'-(4-CHLOROBENZOYLOXY)-4-NITROBENZIMIDAMIDE, [(E)-[amino-(4-nitrophenyl)methylidene]amino] 4-chlorobenzoate
| Molecular Formula | C14H10ClN3O4 |
|---|---|
| Molecular Weight | 319.04 g/mol |
| LogP | 2.7255 |
| Topological Polar Surface Area | 107.82 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 319.03598 |
| Heavy Atoms | 22 |
| Complexity | 726.7581 |
Chemical Identifiers
| CAS Number | 68451-89-8 |
|---|---|
| SMILES | C1=CC(=CC=C1/C(=N\OC(=O)C2=CC=C(C=C2)Cl)/N)[N+](=O)[O-] |
Product Overview
[(E)-[amino-(4-nitrophenyl)methylidene]amino] 4-chlorobenzoate (CAS 68451-89-8), with molecular formula C14H10ClN3O4 and molecular weight 319.04 g/mol. IUPAC: [(E)-[amino-(4-nitrophenyl)methylidene]amino] 4-chlorobenzoate.
Chemical Property Profile of [(E)-[amino-(4-nitrophenyl)methylidene]amino] 4-chlorobenzoate
Property Insights of [(E)-[amino-(4-nitrophenyl)methylidene]amino] 4-chlorobenzoate
The XLogP value of 2.7255 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [(E)-[amino-(4-nitrophenyl)methylidene]amino] 4-chlorobenzoate. The TPSA of 107.82 Ų falls within the moderate polarity range, balancing permeability and solubility for [(E)-[amino-(4-nitrophenyl)methylidene]amino] 4-chlorobenzoate. Following Lipinski's Rule of Five, [(E)-[amino-(4-nitrophenyl)methylidene]amino] 4-chlorobenzoate has 1 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 [(E)-[amino-(4-nitrophenyl)methylidene]amino] 4-chlorobenzoate?
The CAS number of [(E)-[amino-(4-nitrophenyl)methylidene]amino] 4-chlorobenzoate is 68451-89-8.
What is the molecular formula of [(E)-[amino-(4-nitrophenyl)methylidene]amino] 4-chlorobenzoate?
The molecular formula of [(E)-[amino-(4-nitrophenyl)methylidene]amino] 4-chlorobenzoate is C14H10ClN3O4.
What is the molecular weight of [(E)-[amino-(4-nitrophenyl)methylidene]amino] 4-chlorobenzoate?
The molecular weight of [(E)-[amino-(4-nitrophenyl)methylidene]amino] 4-chlorobenzoate is 319.04 g/mol.
Where can I buy [(E)-[amino-(4-nitrophenyl)methylidene]amino] 4-chlorobenzoate?
You can request a quote for [(E)-[amino-(4-nitrophenyl)methylidene]amino] 4-chlorobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [(E)-[amino-(4-nitrophenyl)methylidene]amino] 4-chlorobenzoate?
Yes, KEHONG BIO provides custom synthesis services for [(E)-[amino-(4-nitrophenyl)methylidene]amino] 4-chlorobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.