![2-[[5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-3-(2-methoxyphenyl)quinazolin-4-one structure](/static/products/897/897545-03-8.png)
2-[[5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-3-(2-methoxyphenyl)quinazolin-4-one
TL;DR: 2-[[5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-3-(2-methoxyphenyl)quinazolin-4-one (CAS 897545-03-8) is a chemical compound with molecular formula C30H26BrN7O2S and molecular weight 627.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-3-(2-methoxyphenyl)quinazolin-4-one
Also Known As: 2-[[5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-3-(2-methoxyphenyl)quinazolin-4-one, 2-[({5-[(4-BROMO-3,5-DIMETHYL-1H-PYRAZOL-1-YL)METHYL]-4-PHENYL-4H-1,2,4-TRIAZOL-3-YL}SULFANYL)METHYL]-3-(2-METHOXYPHENYL)-4(3H)-QUINAZOLINONE, 2-[({5-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-3-(2-methoxyphenyl)quinazolin-4(3H)-one, 2-[({5-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}thio)methyl]-3-(2-methoxyphenyl)quinazolin-4(3H)-one
| Molecular Formula | C30H26BrN7O2S |
|---|---|
| Molecular Weight | 627.11 g/mol |
| LogP | 5.89144 |
| Topological Polar Surface Area | 92.65 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 627.1052 |
| Heavy Atoms | 41 |
| Complexity | 1931.3599 |
Chemical Identifiers
| CAS Number | 897545-03-8 |
|---|---|
| SMILES | CC1=C(C(=NN1CC2=NN=C(N2C3=CC=CC=C3)SCC4=NC5=CC=CC=C5C(=O)N4C6=CC=CC=C6OC)C)Br |
Product Overview
2-[[5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-3-(2-methoxyphenyl)quinazolin-4-one (CAS 897545-03-8), with molecular formula C30H26BrN7O2S and molecular weight 627.11 g/mol. IUPAC: 2-[[5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-3-(2-methoxyphenyl)quinazolin-4-one.
Chemical Property Profile of 2-[[5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-3-(2-methoxyphenyl)quinazolin-4-one
Property Insights of 2-[[5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-3-(2-methoxyphenyl)quinazolin-4-one
The XLogP value of 5.89144 indicates that 2-[[5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-3-(2-methoxyphenyl)quinazolin-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.65 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[[5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-3-(2-methoxyphenyl)quinazolin-4-one. Following Lipinski's Rule of Five, 2-[[5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-3-(2-methoxyphenyl)quinazolin-4-one has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-[[5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-3-(2-methoxyphenyl)quinazolin-4-one?
The CAS number of 2-[[5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-3-(2-methoxyphenyl)quinazolin-4-one is 897545-03-8.
What is the molecular formula of 2-[[5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-3-(2-methoxyphenyl)quinazolin-4-one?
The molecular formula of 2-[[5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-3-(2-methoxyphenyl)quinazolin-4-one is C30H26BrN7O2S.
What is the molecular weight of 2-[[5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-3-(2-methoxyphenyl)quinazolin-4-one?
The molecular weight of 2-[[5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-3-(2-methoxyphenyl)quinazolin-4-one is 627.11 g/mol.
Where can I buy 2-[[5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-3-(2-methoxyphenyl)quinazolin-4-one?
You can request a quote for 2-[[5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-3-(2-methoxyphenyl)quinazolin-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[[5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-3-(2-methoxyphenyl)quinazolin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 2-[[5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-3-(2-methoxyphenyl)quinazolin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.