![N-[[6-chloro-2-(4-methylphenyl)benzotriazol-5-yl]carbamothioyl]-2-methoxybenzamide structure](/static/products/4333/433329-03-4.webp)
N-[[6-chloro-2-(4-methylphenyl)benzotriazol-5-yl]carbamothioyl]-2-methoxybenzamide
TL;DR: N-[[6-chloro-2-(4-methylphenyl)benzotriazol-5-yl]carbamothioyl]-2-methoxybenzamide (CAS 433329-03-4) is a chemical compound with molecular formula C22H18ClN5O2S and molecular weight 451.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[6-chloro-2-(4-methylphenyl)benzotriazol-5-yl]carbamothioyl]-2-methoxybenzamide
Also Known As: N-[[6-chloro-2-(4-methylphenyl)benzotriazol-5-yl]carbamothioyl]-2-methoxybenzamide, N-{[6-chloro-2-(4-methylphenyl)-2H-benzotriazol-5-yl]carbamothioyl}-2-methoxybenzamide, N-[[6-chloro-2-(4-methylphenyl)benzotriazol-5-yl]thiocarbamoyl]-2-methoxy-benzamide
| Molecular Formula | C22H18ClN5O2S |
|---|---|
| Molecular Weight | 451.09 g/mol |
| LogP | 4.51772 |
| Topological Polar Surface Area | 81.07 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 451.08698 |
| Heavy Atoms | 31 |
| Complexity | 1287.0559 |
Chemical Identifiers
| CAS Number | 433329-03-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2N=C3C=C(C(=CC3=N2)Cl)NC(=S)NC(=O)C4=CC=CC=C4OC |
Product Overview
N-[[6-chloro-2-(4-methylphenyl)benzotriazol-5-yl]carbamothioyl]-2-methoxybenzamide (CAS 433329-03-4), with molecular formula C22H18ClN5O2S and molecular weight 451.09 g/mol. IUPAC: N-[[6-chloro-2-(4-methylphenyl)benzotriazol-5-yl]carbamothioyl]-2-methoxybenzamide.
Chemical Property Profile of N-[[6-chloro-2-(4-methylphenyl)benzotriazol-5-yl]carbamothioyl]-2-methoxybenzamide
Property Insights of N-[[6-chloro-2-(4-methylphenyl)benzotriazol-5-yl]carbamothioyl]-2-methoxybenzamide
The XLogP value of 4.51772 indicates that N-[[6-chloro-2-(4-methylphenyl)benzotriazol-5-yl]carbamothioyl]-2-methoxybenzamide 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 N-[[6-chloro-2-(4-methylphenyl)benzotriazol-5-yl]carbamothioyl]-2-methoxybenzamide. Following Lipinski's Rule of Five, N-[[6-chloro-2-(4-methylphenyl)benzotriazol-5-yl]carbamothioyl]-2-methoxybenzamide 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 N-[[6-chloro-2-(4-methylphenyl)benzotriazol-5-yl]carbamothioyl]-2-methoxybenzamide?
The CAS number of N-[[6-chloro-2-(4-methylphenyl)benzotriazol-5-yl]carbamothioyl]-2-methoxybenzamide is 433329-03-4.
What is the molecular formula of N-[[6-chloro-2-(4-methylphenyl)benzotriazol-5-yl]carbamothioyl]-2-methoxybenzamide?
The molecular formula of N-[[6-chloro-2-(4-methylphenyl)benzotriazol-5-yl]carbamothioyl]-2-methoxybenzamide is C22H18ClN5O2S.
What is the molecular weight of N-[[6-chloro-2-(4-methylphenyl)benzotriazol-5-yl]carbamothioyl]-2-methoxybenzamide?
The molecular weight of N-[[6-chloro-2-(4-methylphenyl)benzotriazol-5-yl]carbamothioyl]-2-methoxybenzamide is 451.09 g/mol.
Where can I buy N-[[6-chloro-2-(4-methylphenyl)benzotriazol-5-yl]carbamothioyl]-2-methoxybenzamide?
You can request a quote for N-[[6-chloro-2-(4-methylphenyl)benzotriazol-5-yl]carbamothioyl]-2-methoxybenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[[6-chloro-2-(4-methylphenyl)benzotriazol-5-yl]carbamothioyl]-2-methoxybenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-[[6-chloro-2-(4-methylphenyl)benzotriazol-5-yl]carbamothioyl]-2-methoxybenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.