![4-nitro-N-[(2-phenylbenzotriazol-5-yl)carbamothioyl]benzamide structure](/static/products/3334/333419-85-5.webp)
4-nitro-N-[(2-phenylbenzotriazol-5-yl)carbamothioyl]benzamide
TL;DR: 4-nitro-N-[(2-phenylbenzotriazol-5-yl)carbamothioyl]benzamide (CAS 333419-85-5) is a chemical compound with molecular formula C20H14N6O3S and molecular weight 418.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-nitro-N-[(2-phenylbenzotriazol-5-yl)carbamothioyl]benzamide
Also Known As: BAS 02760416, 4-nitro-N-[(2-phenylbenzotriazol-5-yl)carbamothioyl]benzamide, 1-(4-Nitro-benzoyl)-3-(2-phenyl-2H-benzotriazol-5-yl)-thiourea, 4-nitro-N-[(2-phenyl-2H-benzotriazol-5-yl)carbamothioyl]benzamide, N-{4-nitrobenzoyl}-N'-(2-phenyl-2H-1,2,3-benzotriazol-5-yl)thiourea
| Molecular Formula | C20H14N6O3S |
|---|---|
| Molecular Weight | 418.08 g/mol |
| LogP | 3.4555 |
| Topological Polar Surface Area | 114.98 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 418.0848 |
| Heavy Atoms | 30 |
| Complexity | 1254.7831 |
Chemical Identifiers
| CAS Number | 333419-85-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2N=C3C=CC(=CC3=N2)NC(=S)NC(=O)C4=CC=C(C=C4)[N+](=O)[O-] |
Product Overview
4-nitro-N-[(2-phenylbenzotriazol-5-yl)carbamothioyl]benzamide (CAS 333419-85-5), with molecular formula C20H14N6O3S and molecular weight 418.08 g/mol. IUPAC: 4-nitro-N-[(2-phenylbenzotriazol-5-yl)carbamothioyl]benzamide.
Chemical Property Profile of 4-nitro-N-[(2-phenylbenzotriazol-5-yl)carbamothioyl]benzamide
Property Insights of 4-nitro-N-[(2-phenylbenzotriazol-5-yl)carbamothioyl]benzamide
The XLogP value of 3.4555 indicates that 4-nitro-N-[(2-phenylbenzotriazol-5-yl)carbamothioyl]benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 114.98 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-nitro-N-[(2-phenylbenzotriazol-5-yl)carbamothioyl]benzamide. Following Lipinski's Rule of Five, 4-nitro-N-[(2-phenylbenzotriazol-5-yl)carbamothioyl]benzamide 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 4-nitro-N-[(2-phenylbenzotriazol-5-yl)carbamothioyl]benzamide?
The CAS number of 4-nitro-N-[(2-phenylbenzotriazol-5-yl)carbamothioyl]benzamide is 333419-85-5.
What is the molecular formula of 4-nitro-N-[(2-phenylbenzotriazol-5-yl)carbamothioyl]benzamide?
The molecular formula of 4-nitro-N-[(2-phenylbenzotriazol-5-yl)carbamothioyl]benzamide is C20H14N6O3S.
What is the molecular weight of 4-nitro-N-[(2-phenylbenzotriazol-5-yl)carbamothioyl]benzamide?
The molecular weight of 4-nitro-N-[(2-phenylbenzotriazol-5-yl)carbamothioyl]benzamide is 418.08 g/mol.
Where can I buy 4-nitro-N-[(2-phenylbenzotriazol-5-yl)carbamothioyl]benzamide?
You can request a quote for 4-nitro-N-[(2-phenylbenzotriazol-5-yl)carbamothioyl]benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-nitro-N-[(2-phenylbenzotriazol-5-yl)carbamothioyl]benzamide?
Yes, KEHONG BIO provides custom synthesis services for 4-nitro-N-[(2-phenylbenzotriazol-5-yl)carbamothioyl]benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.