![4-fluoro-N-[(6-methyl-2-phenylbenzotriazol-5-yl)carbamothioyl]benzamide structure](/static/products/4284/428490-91-9.webp)
4-fluoro-N-[(6-methyl-2-phenylbenzotriazol-5-yl)carbamothioyl]benzamide
TL;DR: 4-fluoro-N-[(6-methyl-2-phenylbenzotriazol-5-yl)carbamothioyl]benzamide (CAS 428490-91-9) is a chemical compound with molecular formula C21H16FN5OS and molecular weight 405.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-fluoro-N-[(6-methyl-2-phenylbenzotriazol-5-yl)carbamothioyl]benzamide
Also Known As: 4-fluoro-N-[(6-methyl-2-phenyl-2H-benzotriazol-5-yl)carbamothioyl]benzamide, 4-fluoro-N-[(6-methyl-2-phenylbenzotriazol-5-yl)carbamothioyl]benzamide
| Molecular Formula | C21H16FN5OS |
|---|---|
| Molecular Weight | 405.11 g/mol |
| LogP | 3.99482 |
| Topological Polar Surface Area | 71.84 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 405.10596 |
| Heavy Atoms | 29 |
| Complexity | 1205.2137 |
Chemical Identifiers
| CAS Number | 428490-91-9 |
|---|---|
| SMILES | CC1=CC2=NN(N=C2C=C1NC(=S)NC(=O)C3=CC=C(C=C3)F)C4=CC=CC=C4 |
Product Overview
4-fluoro-N-[(6-methyl-2-phenylbenzotriazol-5-yl)carbamothioyl]benzamide (CAS 428490-91-9), with molecular formula C21H16FN5OS and molecular weight 405.11 g/mol. IUPAC: 4-fluoro-N-[(6-methyl-2-phenylbenzotriazol-5-yl)carbamothioyl]benzamide.
Chemical Property Profile of 4-fluoro-N-[(6-methyl-2-phenylbenzotriazol-5-yl)carbamothioyl]benzamide
Property Insights of 4-fluoro-N-[(6-methyl-2-phenylbenzotriazol-5-yl)carbamothioyl]benzamide
The XLogP value of 3.99482 indicates that 4-fluoro-N-[(6-methyl-2-phenylbenzotriazol-5-yl)carbamothioyl]benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.84 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-fluoro-N-[(6-methyl-2-phenylbenzotriazol-5-yl)carbamothioyl]benzamide. Following Lipinski's Rule of Five, 4-fluoro-N-[(6-methyl-2-phenylbenzotriazol-5-yl)carbamothioyl]benzamide has 2 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 4-fluoro-N-[(6-methyl-2-phenylbenzotriazol-5-yl)carbamothioyl]benzamide?
The CAS number of 4-fluoro-N-[(6-methyl-2-phenylbenzotriazol-5-yl)carbamothioyl]benzamide is 428490-91-9.
What is the molecular formula of 4-fluoro-N-[(6-methyl-2-phenylbenzotriazol-5-yl)carbamothioyl]benzamide?
The molecular formula of 4-fluoro-N-[(6-methyl-2-phenylbenzotriazol-5-yl)carbamothioyl]benzamide is C21H16FN5OS.
What is the molecular weight of 4-fluoro-N-[(6-methyl-2-phenylbenzotriazol-5-yl)carbamothioyl]benzamide?
The molecular weight of 4-fluoro-N-[(6-methyl-2-phenylbenzotriazol-5-yl)carbamothioyl]benzamide is 405.11 g/mol.
Where can I buy 4-fluoro-N-[(6-methyl-2-phenylbenzotriazol-5-yl)carbamothioyl]benzamide?
You can request a quote for 4-fluoro-N-[(6-methyl-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-fluoro-N-[(6-methyl-2-phenylbenzotriazol-5-yl)carbamothioyl]benzamide?
Yes, KEHONG BIO provides custom synthesis services for 4-fluoro-N-[(6-methyl-2-phenylbenzotriazol-5-yl)carbamothioyl]benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.