![N'-{[(4-chlorophenyl)acetyl]oxy}-3-nitrobenzenecarboximidamide structure](/static/products/5812/5812-74-8.webp)
N'-{[(4-chlorophenyl)acetyl]oxy}-3-nitrobenzenecarboximidamide
TL;DR: N'-{[(4-chlorophenyl)acetyl]oxy}-3-nitrobenzenecarboximidamide (CAS 5812-74-8) is a chemical compound with molecular formula C15H12ClN3O4 and molecular weight 333.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(Z)-[amino-(3-nitrophenyl)methylidene]amino] 2-(4-chlorophenyl)acetate
Also Known As: BIM-0034321.P001, N'-{[(4-chlorophenyl)acetyl]oxy}-3-nitrobenzenecarboximidamide, [(Z)-[amino-(3-nitrophenyl)methylidene]amino] 2-(4-chlorophenyl)acetate, N'-{[(4-Chlorophenyl)acetyl]oxy}-3-nitrobenzene-1-carboximidamide
| Molecular Formula | C15H12ClN3O4 |
|---|---|
| Molecular Weight | 333.05 g/mol |
| LogP | 2.6544 |
| Topological Polar Surface Area | 107.82 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 333.05164 |
| Heavy Atoms | 23 |
| Complexity | 759.57227 |
Chemical Identifiers
| CAS Number | 5812-74-8 |
|---|---|
| SMILES | C1=CC(=CC(=C1)[N+](=O)[O-])/C(=N/OC(=O)CC2=CC=C(C=C2)Cl)/N |
Product Overview
N'-{[(4-chlorophenyl)acetyl]oxy}-3-nitrobenzenecarboximidamide (CAS 5812-74-8), with molecular formula C15H12ClN3O4 and molecular weight 333.05 g/mol. IUPAC: [(Z)-[amino-(3-nitrophenyl)methylidene]amino] 2-(4-chlorophenyl)acetate.
Chemical Property Profile of N'-{[(4-chlorophenyl)acetyl]oxy}-3-nitrobenzenecarboximidamide
Property Insights of N'-{[(4-chlorophenyl)acetyl]oxy}-3-nitrobenzenecarboximidamide
The XLogP value of 2.6544 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N'-{[(4-chlorophenyl)acetyl]oxy}-3-nitrobenzenecarboximidamide. The TPSA of 107.82 Ų falls within the moderate polarity range, balancing permeability and solubility for N'-{[(4-chlorophenyl)acetyl]oxy}-3-nitrobenzenecarboximidamide. Following Lipinski's Rule of Five, N'-{[(4-chlorophenyl)acetyl]oxy}-3-nitrobenzenecarboximidamide 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 N'-{[(4-chlorophenyl)acetyl]oxy}-3-nitrobenzenecarboximidamide?
The CAS number of N'-{[(4-chlorophenyl)acetyl]oxy}-3-nitrobenzenecarboximidamide is 5812-74-8.
What is the molecular formula of N'-{[(4-chlorophenyl)acetyl]oxy}-3-nitrobenzenecarboximidamide?
The molecular formula of N'-{[(4-chlorophenyl)acetyl]oxy}-3-nitrobenzenecarboximidamide is C15H12ClN3O4.
What is the molecular weight of N'-{[(4-chlorophenyl)acetyl]oxy}-3-nitrobenzenecarboximidamide?
The molecular weight of N'-{[(4-chlorophenyl)acetyl]oxy}-3-nitrobenzenecarboximidamide is 333.05 g/mol.
Where can I buy N'-{[(4-chlorophenyl)acetyl]oxy}-3-nitrobenzenecarboximidamide?
You can request a quote for N'-{[(4-chlorophenyl)acetyl]oxy}-3-nitrobenzenecarboximidamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N'-{[(4-chlorophenyl)acetyl]oxy}-3-nitrobenzenecarboximidamide?
Yes, KEHONG BIO provides custom synthesis services for N'-{[(4-chlorophenyl)acetyl]oxy}-3-nitrobenzenecarboximidamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.