Benzoic acid, 2-((3-bromophenyl)amino)-4-nitro-, 2-(aminothioxomethyl)hydrazide
TL;DR: Benzoic acid, 2-((3-bromophenyl)amino)-4-nitro-, 2-(aminothioxomethyl)hydrazide (CAS 195370-45-7) is a chemical compound with molecular formula C14H12BrN5O3S and molecular weight 408.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[[2-(3-bromoanilino)-4-nitrobenzoyl]amino]thiourea
Also Known As: Benzoic acid, 2-((3-bromophenyl)amino)-4-nitro-, 2-(aminothioxomethyl)hydrazide, 2-((3-Bromophenyl)amino)-4-nitrobenzoic acid 2-(aminothioxomethyl)hydrazide, [[2-(3-bromoanilino)-4-nitrobenzoyl]amino]thiourea, 2-[2-(3-Bromoanilino)-4-nitrobenzoyl]hydrazine-1-carbothioamide, RefChem:326648
| Molecular Formula | C14H12BrN5O3S |
|---|---|
| Molecular Weight | 408.98 g/mol |
| LogP | 2.5789 |
| Topological Polar Surface Area | 122.32 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 408.9844 |
| Heavy Atoms | 24 |
| Complexity | 814.74695 |
Chemical Identifiers
| CAS Number | 195370-45-7 |
|---|---|
| SMILES | C1=CC(=CC(=C1)Br)NC2=C(C=CC(=C2)[N+](=O)[O-])C(=O)NNC(=S)N |
Product Overview
Benzoic acid, 2-((3-bromophenyl)amino)-4-nitro-, 2-(aminothioxomethyl)hydrazide (CAS 195370-45-7), with molecular formula C14H12BrN5O3S and molecular weight 408.98 g/mol. IUPAC: [[2-(3-bromoanilino)-4-nitrobenzoyl]amino]thiourea.
Chemical Property Profile of Benzoic acid, 2-((3-bromophenyl)amino)-4-nitro-, 2-(aminothioxomethyl)hydrazide
Property Insights of Benzoic acid, 2-((3-bromophenyl)amino)-4-nitro-, 2-(aminothioxomethyl)hydrazide
The XLogP value of 2.5789 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoic acid, 2-((3-bromophenyl)amino)-4-nitro-, 2-(aminothioxomethyl)hydrazide. The TPSA of 122.32 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid, 2-((3-bromophenyl)amino)-4-nitro-, 2-(aminothioxomethyl)hydrazide. Following Lipinski's Rule of Five, Benzoic acid, 2-((3-bromophenyl)amino)-4-nitro-, 2-(aminothioxomethyl)hydrazide has 4 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 Benzoic acid, 2-((3-bromophenyl)amino)-4-nitro-, 2-(aminothioxomethyl)hydrazide?
The CAS number of Benzoic acid, 2-((3-bromophenyl)amino)-4-nitro-, 2-(aminothioxomethyl)hydrazide is 195370-45-7.
What is the molecular formula of Benzoic acid, 2-((3-bromophenyl)amino)-4-nitro-, 2-(aminothioxomethyl)hydrazide?
The molecular formula of Benzoic acid, 2-((3-bromophenyl)amino)-4-nitro-, 2-(aminothioxomethyl)hydrazide is C14H12BrN5O3S.
What is the molecular weight of Benzoic acid, 2-((3-bromophenyl)amino)-4-nitro-, 2-(aminothioxomethyl)hydrazide?
The molecular weight of Benzoic acid, 2-((3-bromophenyl)amino)-4-nitro-, 2-(aminothioxomethyl)hydrazide is 408.98 g/mol.
Where can I buy Benzoic acid, 2-((3-bromophenyl)amino)-4-nitro-, 2-(aminothioxomethyl)hydrazide?
You can request a quote for Benzoic acid, 2-((3-bromophenyl)amino)-4-nitro-, 2-(aminothioxomethyl)hydrazide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, 2-((3-bromophenyl)amino)-4-nitro-, 2-(aminothioxomethyl)hydrazide?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 2-((3-bromophenyl)amino)-4-nitro-, 2-(aminothioxomethyl)hydrazide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.