N'-{[(2-chloro-4-methylphenyl)carbonyl]oxy}-3-nitrobenzenecarboximidamide
TL;DR: N'-{[(2-chloro-4-methylphenyl)carbonyl]oxy}-3-nitrobenzenecarboximidamide (CAS 430459-12-4) 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-chloro-4-methylbenzoate
Also Known As: (Z)-N'-((2-chloro-4-methylbenzoyl)oxy)-3-nitrobenzimidamide, N'-[(2-chloro-4-methylbenzoyl)oxy]-3-nitrobenzenecarboximidamide, [(Z)-[amino-(3-nitrophenyl)methylidene]amino] 2-chloro-4-methylbenzoate, N'-{[(2-chloro-4-methylphenyl)carbonyl]oxy}-3-nitrobenzenecarboximidamide
| Molecular Formula | C15H12ClN3O4 |
|---|---|
| Molecular Weight | 333.05 g/mol |
| LogP | 3.03392 |
| Topological Polar Surface Area | 107.82 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 333.05164 |
| Heavy Atoms | 23 |
| Complexity | 805.059 |
Chemical Identifiers
| CAS Number | 430459-12-4 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)C(=O)O/N=C(/C2=CC(=CC=C2)[N+](=O)[O-])\N)Cl |
Product Overview
N'-{[(2-chloro-4-methylphenyl)carbonyl]oxy}-3-nitrobenzenecarboximidamide (CAS 430459-12-4), with molecular formula C15H12ClN3O4 and molecular weight 333.05 g/mol. IUPAC: [(Z)-[amino-(3-nitrophenyl)methylidene]amino] 2-chloro-4-methylbenzoate.
Chemical Property Profile of N'-{[(2-chloro-4-methylphenyl)carbonyl]oxy}-3-nitrobenzenecarboximidamide
Property Insights of N'-{[(2-chloro-4-methylphenyl)carbonyl]oxy}-3-nitrobenzenecarboximidamide
The XLogP value of 3.03392 indicates that N'-{[(2-chloro-4-methylphenyl)carbonyl]oxy}-3-nitrobenzenecarboximidamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 107.82 Ų falls within the moderate polarity range, balancing permeability and solubility for N'-{[(2-chloro-4-methylphenyl)carbonyl]oxy}-3-nitrobenzenecarboximidamide. Following Lipinski's Rule of Five, N'-{[(2-chloro-4-methylphenyl)carbonyl]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'-{[(2-chloro-4-methylphenyl)carbonyl]oxy}-3-nitrobenzenecarboximidamide?
The CAS number of N'-{[(2-chloro-4-methylphenyl)carbonyl]oxy}-3-nitrobenzenecarboximidamide is 430459-12-4.
What is the molecular formula of N'-{[(2-chloro-4-methylphenyl)carbonyl]oxy}-3-nitrobenzenecarboximidamide?
The molecular formula of N'-{[(2-chloro-4-methylphenyl)carbonyl]oxy}-3-nitrobenzenecarboximidamide is C15H12ClN3O4.
What is the molecular weight of N'-{[(2-chloro-4-methylphenyl)carbonyl]oxy}-3-nitrobenzenecarboximidamide?
The molecular weight of N'-{[(2-chloro-4-methylphenyl)carbonyl]oxy}-3-nitrobenzenecarboximidamide is 333.05 g/mol.
Where can I buy N'-{[(2-chloro-4-methylphenyl)carbonyl]oxy}-3-nitrobenzenecarboximidamide?
You can request a quote for N'-{[(2-chloro-4-methylphenyl)carbonyl]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'-{[(2-chloro-4-methylphenyl)carbonyl]oxy}-3-nitrobenzenecarboximidamide?
Yes, KEHONG BIO provides custom synthesis services for N'-{[(2-chloro-4-methylphenyl)carbonyl]oxy}-3-nitrobenzenecarboximidamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.