Acetic acid, (2-benzoyl-4-nitrophenoxy)-, 2-((4-chlorophenyl)thioxomethyl)hydrazide
TL;DR: Acetic acid, (2-benzoyl-4-nitrophenoxy)-, 2-((4-chlorophenyl)thioxomethyl)hydrazide (CAS 111044-27-0) is a chemical compound with molecular formula C22H16ClN3O5S and molecular weight 469.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-benzoyl-4-nitrophenoxy)-N'-(4-chlorobenzenecarbothioyl)acetohydrazide
Also Known As: Acetic acid, (2-benzoyl-4-nitrophenoxy)-, 2-((4-chlorophenyl)thioxomethyl)hydrazide, (2-Benzoyl-4-nitrophenoxy)acetic acid 2-((4-chlorophenyl)thioxomethyl)hydrazide, 2-(2-benzoyl-4-nitrophenoxy)-N'-(4-chlorobenzenecarbothioyl)acetohydrazide, 2-(2-Benzoyl-4-nitrophenoxy)-N'-(4-chlorobenzene-1-carbothioyl)acetohydrazide, RefChem:316150
| Molecular Formula | C22H16ClN3O5S |
|---|---|
| Molecular Weight | 469.05 g/mol |
| LogP | 3.8545 |
| Topological Polar Surface Area | 110.57 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 469.04993 |
| Heavy Atoms | 32 |
| Complexity | 1169.9436 |
Chemical Identifiers
| CAS Number | 111044-27-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)C2=C(C=CC(=C2)[N+](=O)[O-])OCC(=O)NNC(=S)C3=CC=C(C=C3)Cl |
Product Overview
Acetic acid, (2-benzoyl-4-nitrophenoxy)-, 2-((4-chlorophenyl)thioxomethyl)hydrazide (CAS 111044-27-0), with molecular formula C22H16ClN3O5S and molecular weight 469.05 g/mol. IUPAC: 2-(2-benzoyl-4-nitrophenoxy)-N'-(4-chlorobenzenecarbothioyl)acetohydrazide.
Chemical Property Profile of Acetic acid, (2-benzoyl-4-nitrophenoxy)-, 2-((4-chlorophenyl)thioxomethyl)hydrazide
Property Insights of Acetic acid, (2-benzoyl-4-nitrophenoxy)-, 2-((4-chlorophenyl)thioxomethyl)hydrazide
The XLogP value of 3.8545 indicates that Acetic acid, (2-benzoyl-4-nitrophenoxy)-, 2-((4-chlorophenyl)thioxomethyl)hydrazide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 110.57 Ų falls within the moderate polarity range, balancing permeability and solubility for Acetic acid, (2-benzoyl-4-nitrophenoxy)-, 2-((4-chlorophenyl)thioxomethyl)hydrazide. Following Lipinski's Rule of Five, Acetic acid, (2-benzoyl-4-nitrophenoxy)-, 2-((4-chlorophenyl)thioxomethyl)hydrazide has 2 hydrogen bond donor(s) and 6 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 Acetic acid, (2-benzoyl-4-nitrophenoxy)-, 2-((4-chlorophenyl)thioxomethyl)hydrazide?
The CAS number of Acetic acid, (2-benzoyl-4-nitrophenoxy)-, 2-((4-chlorophenyl)thioxomethyl)hydrazide is 111044-27-0.
What is the molecular formula of Acetic acid, (2-benzoyl-4-nitrophenoxy)-, 2-((4-chlorophenyl)thioxomethyl)hydrazide?
The molecular formula of Acetic acid, (2-benzoyl-4-nitrophenoxy)-, 2-((4-chlorophenyl)thioxomethyl)hydrazide is C22H16ClN3O5S.
What is the molecular weight of Acetic acid, (2-benzoyl-4-nitrophenoxy)-, 2-((4-chlorophenyl)thioxomethyl)hydrazide?
The molecular weight of Acetic acid, (2-benzoyl-4-nitrophenoxy)-, 2-((4-chlorophenyl)thioxomethyl)hydrazide is 469.05 g/mol.
Where can I buy Acetic acid, (2-benzoyl-4-nitrophenoxy)-, 2-((4-chlorophenyl)thioxomethyl)hydrazide?
You can request a quote for Acetic acid, (2-benzoyl-4-nitrophenoxy)-, 2-((4-chlorophenyl)thioxomethyl)hydrazide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetic acid, (2-benzoyl-4-nitrophenoxy)-, 2-((4-chlorophenyl)thioxomethyl)hydrazide?
Yes, KEHONG BIO provides custom synthesis services for Acetic acid, (2-benzoyl-4-nitrophenoxy)-, 2-((4-chlorophenyl)thioxomethyl)hydrazide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.