![N-[[3-(3a,7a-dihydrobenzotriazol-1-ylmethyl)-4-methoxyphenyl]methylideneamino]-2-(4-bromo-3,5-dimethylpyrazol-1-yl)acetamide structure](/static/products/6064/606486-09-3.webp)
N-[[3-(3a,7a-dihydrobenzotriazol-1-ylmethyl)-4-methoxyphenyl]methylideneamino]-2-(4-bromo-3,5-dimethylpyrazol-1-yl)acetamide
TL;DR: N-[[3-(3a,7a-dihydrobenzotriazol-1-ylmethyl)-4-methoxyphenyl]methylideneamino]-2-(4-bromo-3,5-dimethylpyrazol-1-yl)acetamide (CAS 606486-09-3) is a chemical compound with molecular formula C22H24BrN7O2 and molecular weight 497.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[3-(3a,7a-dihydrobenzotriazol-1-ylmethyl)-4-methoxyphenyl]methylideneamino]-2-(4-bromo-3,5-dimethylpyrazol-1-yl)acetamide
Also Known As: N-[[3-(3a,7a-dihydrobenzotriazol-1-ylmethyl)-4-methoxyphenyl]methylideneamino]-2-(4-bromo-3,5-dimethylpyrazol-1-yl)acetamide
| Molecular Formula | C22H24BrN7O2 |
|---|---|
| Molecular Weight | 497.12 g/mol |
| LogP | 3.46734 |
| Topological Polar Surface Area | 96.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 497.1175 |
| Heavy Atoms | 32 |
| Complexity | 1135.5394 |
Chemical Identifiers
| CAS Number | 606486-09-3 |
|---|---|
| SMILES | CC1=C(C(=NN1CC(=O)NN=CC2=CC(=C(C=C2)OC)CN3C4C=CC=CC4N=N3)C)Br |
Product Overview
N-[[3-(3a,7a-dihydrobenzotriazol-1-ylmethyl)-4-methoxyphenyl]methylideneamino]-2-(4-bromo-3,5-dimethylpyrazol-1-yl)acetamide (CAS 606486-09-3), with molecular formula C22H24BrN7O2 and molecular weight 497.12 g/mol. IUPAC: N-[[3-(3a,7a-dihydrobenzotriazol-1-ylmethyl)-4-methoxyphenyl]methylideneamino]-2-(4-bromo-3,5-dimethylpyrazol-1-yl)acetamide.
Chemical Property Profile of N-[[3-(3a,7a-dihydrobenzotriazol-1-ylmethyl)-4-methoxyphenyl]methylideneamino]-2-(4-bromo-3,5-dimethylpyrazol-1-yl)acetamide
Property Insights of N-[[3-(3a,7a-dihydrobenzotriazol-1-ylmethyl)-4-methoxyphenyl]methylideneamino]-2-(4-bromo-3,5-dimethylpyrazol-1-yl)acetamide
The XLogP value of 3.46734 indicates that N-[[3-(3a,7a-dihydrobenzotriazol-1-ylmethyl)-4-methoxyphenyl]methylideneamino]-2-(4-bromo-3,5-dimethylpyrazol-1-yl)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.47 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[[3-(3a,7a-dihydrobenzotriazol-1-ylmethyl)-4-methoxyphenyl]methylideneamino]-2-(4-bromo-3,5-dimethylpyrazol-1-yl)acetamide. Following Lipinski's Rule of Five, N-[[3-(3a,7a-dihydrobenzotriazol-1-ylmethyl)-4-methoxyphenyl]methylideneamino]-2-(4-bromo-3,5-dimethylpyrazol-1-yl)acetamide has 1 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 N-[[3-(3a,7a-dihydrobenzotriazol-1-ylmethyl)-4-methoxyphenyl]methylideneamino]-2-(4-bromo-3,5-dimethylpyrazol-1-yl)acetamide?
The CAS number of N-[[3-(3a,7a-dihydrobenzotriazol-1-ylmethyl)-4-methoxyphenyl]methylideneamino]-2-(4-bromo-3,5-dimethylpyrazol-1-yl)acetamide is 606486-09-3.
What is the molecular formula of N-[[3-(3a,7a-dihydrobenzotriazol-1-ylmethyl)-4-methoxyphenyl]methylideneamino]-2-(4-bromo-3,5-dimethylpyrazol-1-yl)acetamide?
The molecular formula of N-[[3-(3a,7a-dihydrobenzotriazol-1-ylmethyl)-4-methoxyphenyl]methylideneamino]-2-(4-bromo-3,5-dimethylpyrazol-1-yl)acetamide is C22H24BrN7O2.
What is the molecular weight of N-[[3-(3a,7a-dihydrobenzotriazol-1-ylmethyl)-4-methoxyphenyl]methylideneamino]-2-(4-bromo-3,5-dimethylpyrazol-1-yl)acetamide?
The molecular weight of N-[[3-(3a,7a-dihydrobenzotriazol-1-ylmethyl)-4-methoxyphenyl]methylideneamino]-2-(4-bromo-3,5-dimethylpyrazol-1-yl)acetamide is 497.12 g/mol.
Where can I buy N-[[3-(3a,7a-dihydrobenzotriazol-1-ylmethyl)-4-methoxyphenyl]methylideneamino]-2-(4-bromo-3,5-dimethylpyrazol-1-yl)acetamide?
You can request a quote for N-[[3-(3a,7a-dihydrobenzotriazol-1-ylmethyl)-4-methoxyphenyl]methylideneamino]-2-(4-bromo-3,5-dimethylpyrazol-1-yl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[[3-(3a,7a-dihydrobenzotriazol-1-ylmethyl)-4-methoxyphenyl]methylideneamino]-2-(4-bromo-3,5-dimethylpyrazol-1-yl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-[[3-(3a,7a-dihydrobenzotriazol-1-ylmethyl)-4-methoxyphenyl]methylideneamino]-2-(4-bromo-3,5-dimethylpyrazol-1-yl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.