![3-Nitrobenzoic acid 2-[[(4-fluorophenyl)amino]thioxomethyl]hydrazide structure](/static/products/3161/316151-70-9.webp)
3-Nitrobenzoic acid 2-[[(4-fluorophenyl)amino]thioxomethyl]hydrazide
TL;DR: 3-Nitrobenzoic acid 2-[[(4-fluorophenyl)amino]thioxomethyl]hydrazide (CAS 316151-70-9) is a chemical compound with molecular formula C14H11FN4O3S and molecular weight 334.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-fluorophenyl)-3-[(3-nitrobenzoyl)amino]thiourea
Also Known As: 1-(4-fluorophenyl)-3-[(3-nitrobenzoyl)amino]thiourea, N-(4-fluorophenyl)-2-(3-nitrobenzoyl)hydrazinecarbothioamide, 3-Nitrobenzoic acid 2-[[(4-fluorophenyl)amino]thioxomethyl]hydrazide, N-(4-fluorophenyl)-2-(3-nitrobenzoyl)-1-hydrazinecarbothioamide, N-(4-Fluorophenyl)-2-(3-nitrobenzoyl)hydrazine-1-carbothioamide
| Molecular Formula | C14H11FN4O3S |
|---|---|
| Molecular Weight | 334.05 g/mol |
| LogP | 2.3653 |
| Topological Polar Surface Area | 96.3 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 334.0536 |
| Heavy Atoms | 23 |
| Complexity | 751.9425 |
Chemical Identifiers
| CAS Number | 316151-70-9 |
|---|---|
| SMILES | C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)NNC(=S)NC2=CC=C(C=C2)F |
Product Overview
3-Nitrobenzoic acid 2-[[(4-fluorophenyl)amino]thioxomethyl]hydrazide (CAS 316151-70-9), with molecular formula C14H11FN4O3S and molecular weight 334.05 g/mol. IUPAC: 1-(4-fluorophenyl)-3-[(3-nitrobenzoyl)amino]thiourea.
Chemical Property Profile of 3-Nitrobenzoic acid 2-[[(4-fluorophenyl)amino]thioxomethyl]hydrazide
Property Insights of 3-Nitrobenzoic acid 2-[[(4-fluorophenyl)amino]thioxomethyl]hydrazide
The XLogP value of 2.3653 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Nitrobenzoic acid 2-[[(4-fluorophenyl)amino]thioxomethyl]hydrazide. The TPSA of 96.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Nitrobenzoic acid 2-[[(4-fluorophenyl)amino]thioxomethyl]hydrazide. Following Lipinski's Rule of Five, 3-Nitrobenzoic acid 2-[[(4-fluorophenyl)amino]thioxomethyl]hydrazide has 3 hydrogen bond donor(s) and 4 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 3-Nitrobenzoic acid 2-[[(4-fluorophenyl)amino]thioxomethyl]hydrazide?
The CAS number of 3-Nitrobenzoic acid 2-[[(4-fluorophenyl)amino]thioxomethyl]hydrazide is 316151-70-9.
What is the molecular formula of 3-Nitrobenzoic acid 2-[[(4-fluorophenyl)amino]thioxomethyl]hydrazide?
The molecular formula of 3-Nitrobenzoic acid 2-[[(4-fluorophenyl)amino]thioxomethyl]hydrazide is C14H11FN4O3S.
What is the molecular weight of 3-Nitrobenzoic acid 2-[[(4-fluorophenyl)amino]thioxomethyl]hydrazide?
The molecular weight of 3-Nitrobenzoic acid 2-[[(4-fluorophenyl)amino]thioxomethyl]hydrazide is 334.05 g/mol.
Where can I buy 3-Nitrobenzoic acid 2-[[(4-fluorophenyl)amino]thioxomethyl]hydrazide?
You can request a quote for 3-Nitrobenzoic acid 2-[[(4-fluorophenyl)amino]thioxomethyl]hydrazide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Nitrobenzoic acid 2-[[(4-fluorophenyl)amino]thioxomethyl]hydrazide?
Yes, KEHONG BIO provides custom synthesis services for 3-Nitrobenzoic acid 2-[[(4-fluorophenyl)amino]thioxomethyl]hydrazide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.