3-bromo-N-(4-(4,4-dimethyl-3,5-diphenyl-4,5-dihydro-1H-pyrazol-1-yl)benzyl)aniline
TL;DR: 3-bromo-N-(4-(4,4-dimethyl-3,5-diphenyl-4,5-dihydro-1H-pyrazol-1-yl)benzyl)aniline (CAS 369401-46-7) is a chemical compound with molecular formula C30H28BrN3 and molecular weight 509.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-bromo-N-[[4-(4,4-dimethyl-3,5-diphenyl-3H-pyrazol-2-yl)phenyl]methyl]aniline
Also Known As: 3-bromo-N-(4-(4,4-dimethyl-3,5-diphenyl-4,5-dihydro-1H-pyrazol-1-yl)benzyl)aniline, 3-bromo-N-[[4-(4,4-dimethyl-3,5-diphenyl-3H-pyrazol-2-yl)phenyl]methyl]aniline, 3-bromo-N-[[4-(4,4-dimethyl-3,5-diphenyl-5H-pyrazol-1-yl)phenyl]methyl]aniline, 3-bromo-N-[4-(4,4-dimethyl-3,5-diphenyl-4,5-dihydro-1H-pyrazol-1-yl)benzyl]aniline
| Molecular Formula | C30H28BrN3 |
|---|---|
| Molecular Weight | 509.15 g/mol |
| LogP | 8.053 |
| Topological Polar Surface Area | 27.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 509.14667 |
| Heavy Atoms | 34 |
| Complexity | 1281.7113 |
Chemical Identifiers
| CAS Number | 369401-46-7 |
|---|---|
| SMILES | CC1(C(N(N=C1C2=CC=CC=C2)C3=CC=C(C=C3)CNC4=CC(=CC=C4)Br)C5=CC=CC=C5)C |
Product Overview
3-bromo-N-(4-(4,4-dimethyl-3,5-diphenyl-4,5-dihydro-1H-pyrazol-1-yl)benzyl)aniline (CAS 369401-46-7), with molecular formula C30H28BrN3 and molecular weight 509.15 g/mol. IUPAC: 3-bromo-N-[[4-(4,4-dimethyl-3,5-diphenyl-3H-pyrazol-2-yl)phenyl]methyl]aniline.
Chemical Property Profile of 3-bromo-N-(4-(4,4-dimethyl-3,5-diphenyl-4,5-dihydro-1H-pyrazol-1-yl)benzyl)aniline
Property Insights of 3-bromo-N-(4-(4,4-dimethyl-3,5-diphenyl-4,5-dihydro-1H-pyrazol-1-yl)benzyl)aniline
The XLogP value of 8.053 indicates that 3-bromo-N-(4-(4,4-dimethyl-3,5-diphenyl-4,5-dihydro-1H-pyrazol-1-yl)benzyl)aniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 27.63 Ų, 3-bromo-N-(4-(4,4-dimethyl-3,5-diphenyl-4,5-dihydro-1H-pyrazol-1-yl)benzyl)aniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-bromo-N-(4-(4,4-dimethyl-3,5-diphenyl-4,5-dihydro-1H-pyrazol-1-yl)benzyl)aniline has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-bromo-N-(4-(4,4-dimethyl-3,5-diphenyl-4,5-dihydro-1H-pyrazol-1-yl)benzyl)aniline?
The CAS number of 3-bromo-N-(4-(4,4-dimethyl-3,5-diphenyl-4,5-dihydro-1H-pyrazol-1-yl)benzyl)aniline is 369401-46-7.
What is the molecular formula of 3-bromo-N-(4-(4,4-dimethyl-3,5-diphenyl-4,5-dihydro-1H-pyrazol-1-yl)benzyl)aniline?
The molecular formula of 3-bromo-N-(4-(4,4-dimethyl-3,5-diphenyl-4,5-dihydro-1H-pyrazol-1-yl)benzyl)aniline is C30H28BrN3.
What is the molecular weight of 3-bromo-N-(4-(4,4-dimethyl-3,5-diphenyl-4,5-dihydro-1H-pyrazol-1-yl)benzyl)aniline?
The molecular weight of 3-bromo-N-(4-(4,4-dimethyl-3,5-diphenyl-4,5-dihydro-1H-pyrazol-1-yl)benzyl)aniline is 509.15 g/mol.
Where can I buy 3-bromo-N-(4-(4,4-dimethyl-3,5-diphenyl-4,5-dihydro-1H-pyrazol-1-yl)benzyl)aniline?
You can request a quote for 3-bromo-N-(4-(4,4-dimethyl-3,5-diphenyl-4,5-dihydro-1H-pyrazol-1-yl)benzyl)aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-bromo-N-(4-(4,4-dimethyl-3,5-diphenyl-4,5-dihydro-1H-pyrazol-1-yl)benzyl)aniline?
Yes, KEHONG BIO provides custom synthesis services for 3-bromo-N-(4-(4,4-dimethyl-3,5-diphenyl-4,5-dihydro-1H-pyrazol-1-yl)benzyl)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.