![3,4-dimethyl-N-[(2-phenylbenzotriazol-5-yl)carbamothioyl]benzamide structure](/static/products/4256/425680-53-1.webp)
3,4-dimethyl-N-[(2-phenylbenzotriazol-5-yl)carbamothioyl]benzamide
TL;DR: 3,4-dimethyl-N-[(2-phenylbenzotriazol-5-yl)carbamothioyl]benzamide (CAS 425680-53-1) is a chemical compound with molecular formula C22H19N5OS and molecular weight 401.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4-dimethyl-N-[(2-phenylbenzotriazol-5-yl)carbamothioyl]benzamide
Also Known As: 3,4-dimethyl-N-[(2-phenylbenzotriazol-5-yl)carbamothioyl]benzamide, 3,4-dimethyl-N-[(2-phenyl-2H-benzotriazol-5-yl)carbamothioyl]benzamide
| Molecular Formula | C22H19N5OS |
|---|---|
| Molecular Weight | 401.13 g/mol |
| LogP | 4.16414 |
| Topological Polar Surface Area | 71.84 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 401.13104 |
| Heavy Atoms | 29 |
| Complexity | 1216.595 |
Chemical Identifiers
| CAS Number | 425680-53-1 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC3=NN(N=C3C=C2)C4=CC=CC=C4)C |
Product Overview
3,4-dimethyl-N-[(2-phenylbenzotriazol-5-yl)carbamothioyl]benzamide (CAS 425680-53-1), with molecular formula C22H19N5OS and molecular weight 401.13 g/mol. IUPAC: 3,4-dimethyl-N-[(2-phenylbenzotriazol-5-yl)carbamothioyl]benzamide.
Chemical Property Profile of 3,4-dimethyl-N-[(2-phenylbenzotriazol-5-yl)carbamothioyl]benzamide
Property Insights of 3,4-dimethyl-N-[(2-phenylbenzotriazol-5-yl)carbamothioyl]benzamide
The XLogP value of 4.16414 indicates that 3,4-dimethyl-N-[(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 3,4-dimethyl-N-[(2-phenylbenzotriazol-5-yl)carbamothioyl]benzamide. Following Lipinski's Rule of Five, 3,4-dimethyl-N-[(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 3,4-dimethyl-N-[(2-phenylbenzotriazol-5-yl)carbamothioyl]benzamide?
The CAS number of 3,4-dimethyl-N-[(2-phenylbenzotriazol-5-yl)carbamothioyl]benzamide is 425680-53-1.
What is the molecular formula of 3,4-dimethyl-N-[(2-phenylbenzotriazol-5-yl)carbamothioyl]benzamide?
The molecular formula of 3,4-dimethyl-N-[(2-phenylbenzotriazol-5-yl)carbamothioyl]benzamide is C22H19N5OS.
What is the molecular weight of 3,4-dimethyl-N-[(2-phenylbenzotriazol-5-yl)carbamothioyl]benzamide?
The molecular weight of 3,4-dimethyl-N-[(2-phenylbenzotriazol-5-yl)carbamothioyl]benzamide is 401.13 g/mol.
Where can I buy 3,4-dimethyl-N-[(2-phenylbenzotriazol-5-yl)carbamothioyl]benzamide?
You can request a quote for 3,4-dimethyl-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 3,4-dimethyl-N-[(2-phenylbenzotriazol-5-yl)carbamothioyl]benzamide?
Yes, KEHONG BIO provides custom synthesis services for 3,4-dimethyl-N-[(2-phenylbenzotriazol-5-yl)carbamothioyl]benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.