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Benzamide, N-[[(2-hydroxyphenyl)amino]thioxomethyl]-4-nitro-
TL;DR: Benzamide, N-[[(2-hydroxyphenyl)amino]thioxomethyl]-4-nitro- (CAS 53501-22-7) is a chemical compound with molecular formula C14H11N3O4S and molecular weight 317.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(2-hydroxyphenyl)carbamothioyl]-4-nitrobenzamide
Also Known As: N-[(2-hydroxyphenyl)carbamothioyl]-4-nitrobenzamide, BAS 02760324, Benzamide, N-[[(2-hydroxyphenyl)amino]thioxomethyl]-4-nitro-, 2,4-dibromo-6-piperidin-1-ylmethyl-phenol, J1.662.474H
| Molecular Formula | C14H11N3O4S |
|---|---|
| Molecular Weight | 317.05 g/mol |
| LogP | 2.4272 |
| Topological Polar Surface Area | 104.5 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 317.04703 |
| Heavy Atoms | 22 |
| Complexity | 731.12274 |
Chemical Identifiers
| CAS Number | 53501-22-7 |
|---|---|
| SMILES | C1=CC=C(C(=C1)NC(=S)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-])O |
Product Overview
Benzamide, N-[[(2-hydroxyphenyl)amino]thioxomethyl]-4-nitro- (CAS 53501-22-7), with molecular formula C14H11N3O4S and molecular weight 317.05 g/mol. IUPAC: N-[(2-hydroxyphenyl)carbamothioyl]-4-nitrobenzamide.
Chemical Property Profile of Benzamide, N-[[(2-hydroxyphenyl)amino]thioxomethyl]-4-nitro-
Property Insights of Benzamide, N-[[(2-hydroxyphenyl)amino]thioxomethyl]-4-nitro-
The XLogP value of 2.4272 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzamide, N-[[(2-hydroxyphenyl)amino]thioxomethyl]-4-nitro-. The TPSA of 104.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzamide, N-[[(2-hydroxyphenyl)amino]thioxomethyl]-4-nitro-. Following Lipinski's Rule of Five, Benzamide, N-[[(2-hydroxyphenyl)amino]thioxomethyl]-4-nitro- has 3 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 Benzamide, N-[[(2-hydroxyphenyl)amino]thioxomethyl]-4-nitro-?
The CAS number of Benzamide, N-[[(2-hydroxyphenyl)amino]thioxomethyl]-4-nitro- is 53501-22-7.
What is the molecular formula of Benzamide, N-[[(2-hydroxyphenyl)amino]thioxomethyl]-4-nitro-?
The molecular formula of Benzamide, N-[[(2-hydroxyphenyl)amino]thioxomethyl]-4-nitro- is C14H11N3O4S.
What is the molecular weight of Benzamide, N-[[(2-hydroxyphenyl)amino]thioxomethyl]-4-nitro-?
The molecular weight of Benzamide, N-[[(2-hydroxyphenyl)amino]thioxomethyl]-4-nitro- is 317.05 g/mol.
Where can I buy Benzamide, N-[[(2-hydroxyphenyl)amino]thioxomethyl]-4-nitro-?
You can request a quote for Benzamide, N-[[(2-hydroxyphenyl)amino]thioxomethyl]-4-nitro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzamide, N-[[(2-hydroxyphenyl)amino]thioxomethyl]-4-nitro-?
Yes, KEHONG BIO provides custom synthesis services for Benzamide, N-[[(2-hydroxyphenyl)amino]thioxomethyl]-4-nitro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.