![5-bromo-2-methoxy-N-[(6-methyl-2-phenyl-2H-benzotriazol-5-yl)carbamothioyl]benzamide structure](/static/products/4284/428483-81-2.webp)
5-bromo-2-methoxy-N-[(6-methyl-2-phenyl-2H-benzotriazol-5-yl)carbamothioyl]benzamide
TL;DR: 5-bromo-2-methoxy-N-[(6-methyl-2-phenyl-2H-benzotriazol-5-yl)carbamothioyl]benzamide (CAS 428483-81-2) is a chemical compound with molecular formula C22H18BrN5O2S and molecular weight 495.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-bromo-2-methoxy-N-[(6-methyl-2-phenylbenzotriazol-5-yl)carbamothioyl]benzamide
Also Known As: 5-bromo-2-methoxy-N-[(6-methyl-2-phenyl-2H-benzotriazol-5-yl)carbamothioyl]benzamide, 5-bromo-2-methoxy-N-[(6-methyl-2-phenylbenzotriazol-5-yl)carbamothioyl]benzamide, 5-Bromo-2-methoxy-N-[[(6-methyl-2-phenyl-2H-benzotriazol-5-yl)amino]thioxomethyl]benzamide, 5-bromo-2-methoxy-N-[(6-methyl-2-phenyl-benzotriazol-5-yl)thiocarbamoyl]benzamide, 5-bromo-2-methoxy-N-{[(6-methyl-2-phenyl-2H-1,2,3-benzotriazol-5-yl)amino]carbonothioyl}benzamide
| Molecular Formula | C22H18BrN5O2S |
|---|---|
| Molecular Weight | 495.04 g/mol |
| LogP | 4.62682 |
| Topological Polar Surface Area | 81.07 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 495.03647 |
| Heavy Atoms | 31 |
| Complexity | 1290.0559 |
Chemical Identifiers
| CAS Number | 428483-81-2 |
|---|---|
| SMILES | CC1=CC2=NN(N=C2C=C1NC(=S)NC(=O)C3=C(C=CC(=C3)Br)OC)C4=CC=CC=C4 |
Product Overview
5-bromo-2-methoxy-N-[(6-methyl-2-phenyl-2H-benzotriazol-5-yl)carbamothioyl]benzamide (CAS 428483-81-2), with molecular formula C22H18BrN5O2S and molecular weight 495.04 g/mol. IUPAC: 5-bromo-2-methoxy-N-[(6-methyl-2-phenylbenzotriazol-5-yl)carbamothioyl]benzamide.
Chemical Property Profile of 5-bromo-2-methoxy-N-[(6-methyl-2-phenyl-2H-benzotriazol-5-yl)carbamothioyl]benzamide
Property Insights of 5-bromo-2-methoxy-N-[(6-methyl-2-phenyl-2H-benzotriazol-5-yl)carbamothioyl]benzamide
The XLogP value of 4.62682 indicates that 5-bromo-2-methoxy-N-[(6-methyl-2-phenyl-2H-benzotriazol-5-yl)carbamothioyl]benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.07 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-bromo-2-methoxy-N-[(6-methyl-2-phenyl-2H-benzotriazol-5-yl)carbamothioyl]benzamide. Following Lipinski's Rule of Five, 5-bromo-2-methoxy-N-[(6-methyl-2-phenyl-2H-benzotriazol-5-yl)carbamothioyl]benzamide has 2 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 5-bromo-2-methoxy-N-[(6-methyl-2-phenyl-2H-benzotriazol-5-yl)carbamothioyl]benzamide?
The CAS number of 5-bromo-2-methoxy-N-[(6-methyl-2-phenyl-2H-benzotriazol-5-yl)carbamothioyl]benzamide is 428483-81-2.
What is the molecular formula of 5-bromo-2-methoxy-N-[(6-methyl-2-phenyl-2H-benzotriazol-5-yl)carbamothioyl]benzamide?
The molecular formula of 5-bromo-2-methoxy-N-[(6-methyl-2-phenyl-2H-benzotriazol-5-yl)carbamothioyl]benzamide is C22H18BrN5O2S.
What is the molecular weight of 5-bromo-2-methoxy-N-[(6-methyl-2-phenyl-2H-benzotriazol-5-yl)carbamothioyl]benzamide?
The molecular weight of 5-bromo-2-methoxy-N-[(6-methyl-2-phenyl-2H-benzotriazol-5-yl)carbamothioyl]benzamide is 495.04 g/mol.
Where can I buy 5-bromo-2-methoxy-N-[(6-methyl-2-phenyl-2H-benzotriazol-5-yl)carbamothioyl]benzamide?
You can request a quote for 5-bromo-2-methoxy-N-[(6-methyl-2-phenyl-2H-benzotriazol-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 5-bromo-2-methoxy-N-[(6-methyl-2-phenyl-2H-benzotriazol-5-yl)carbamothioyl]benzamide?
Yes, KEHONG BIO provides custom synthesis services for 5-bromo-2-methoxy-N-[(6-methyl-2-phenyl-2H-benzotriazol-5-yl)carbamothioyl]benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.