![2,6-dimethoxy-N-[[2-(4-methoxyphenyl)benzotriazol-5-yl]carbamothioyl]benzamide structure](/static/products/6897/689758-98-3.webp)
2,6-dimethoxy-N-[[2-(4-methoxyphenyl)benzotriazol-5-yl]carbamothioyl]benzamide
TL;DR: 2,6-dimethoxy-N-[[2-(4-methoxyphenyl)benzotriazol-5-yl]carbamothioyl]benzamide (CAS 689758-98-3) is a chemical compound with molecular formula C23H21N5O4S and molecular weight 463.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,6-dimethoxy-N-[[2-(4-methoxyphenyl)benzotriazol-5-yl]carbamothioyl]benzamide
Also Known As: 2,6-dimethoxy-N-[[2-(4-methoxyphenyl)benzotriazol-5-yl]carbamothioyl]benzamide, 2,6-dimethoxy-N-{[2-(4-methoxyphenyl)-2H-benzotriazol-5-yl]carbamothioyl}benzamide, 2,6-dimethoxy-N-[[2-(4-methoxyphenyl)benzotriazol-5-yl]thiocarbamoyl]benzamide
| Molecular Formula | C23H21N5O4S |
|---|---|
| Molecular Weight | 463.13 g/mol |
| LogP | 3.5731 |
| Topological Polar Surface Area | 99.53 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 463.13144 |
| Heavy Atoms | 33 |
| Complexity | 1298.1885 |
Chemical Identifiers
| CAS Number | 689758-98-3 |
|---|---|
| SMILES | COC1=CC=C(C=C1)N2N=C3C=CC(=CC3=N2)NC(=S)NC(=O)C4=C(C=CC=C4OC)OC |
Product Overview
2,6-dimethoxy-N-[[2-(4-methoxyphenyl)benzotriazol-5-yl]carbamothioyl]benzamide (CAS 689758-98-3), with molecular formula C23H21N5O4S and molecular weight 463.13 g/mol. IUPAC: 2,6-dimethoxy-N-[[2-(4-methoxyphenyl)benzotriazol-5-yl]carbamothioyl]benzamide.
Chemical Property Profile of 2,6-dimethoxy-N-[[2-(4-methoxyphenyl)benzotriazol-5-yl]carbamothioyl]benzamide
Property Insights of 2,6-dimethoxy-N-[[2-(4-methoxyphenyl)benzotriazol-5-yl]carbamothioyl]benzamide
The XLogP value of 3.5731 indicates that 2,6-dimethoxy-N-[[2-(4-methoxyphenyl)benzotriazol-5-yl]carbamothioyl]benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.53 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,6-dimethoxy-N-[[2-(4-methoxyphenyl)benzotriazol-5-yl]carbamothioyl]benzamide. Following Lipinski's Rule of Five, 2,6-dimethoxy-N-[[2-(4-methoxyphenyl)benzotriazol-5-yl]carbamothioyl]benzamide has 2 hydrogen bond donor(s) and 7 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 2,6-dimethoxy-N-[[2-(4-methoxyphenyl)benzotriazol-5-yl]carbamothioyl]benzamide?
The CAS number of 2,6-dimethoxy-N-[[2-(4-methoxyphenyl)benzotriazol-5-yl]carbamothioyl]benzamide is 689758-98-3.
What is the molecular formula of 2,6-dimethoxy-N-[[2-(4-methoxyphenyl)benzotriazol-5-yl]carbamothioyl]benzamide?
The molecular formula of 2,6-dimethoxy-N-[[2-(4-methoxyphenyl)benzotriazol-5-yl]carbamothioyl]benzamide is C23H21N5O4S.
What is the molecular weight of 2,6-dimethoxy-N-[[2-(4-methoxyphenyl)benzotriazol-5-yl]carbamothioyl]benzamide?
The molecular weight of 2,6-dimethoxy-N-[[2-(4-methoxyphenyl)benzotriazol-5-yl]carbamothioyl]benzamide is 463.13 g/mol.
Where can I buy 2,6-dimethoxy-N-[[2-(4-methoxyphenyl)benzotriazol-5-yl]carbamothioyl]benzamide?
You can request a quote for 2,6-dimethoxy-N-[[2-(4-methoxyphenyl)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 2,6-dimethoxy-N-[[2-(4-methoxyphenyl)benzotriazol-5-yl]carbamothioyl]benzamide?
Yes, KEHONG BIO provides custom synthesis services for 2,6-dimethoxy-N-[[2-(4-methoxyphenyl)benzotriazol-5-yl]carbamothioyl]benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.