4-(1-(3-bromophenyl)-2-nitroethyl)-3-methyl-1-phenyl-1H-pyrazol-5-ol
TL;DR: 4-(1-(3-bromophenyl)-2-nitroethyl)-3-methyl-1-phenyl-1H-pyrazol-5-ol (CAS 1007186-25-5) is a chemical compound with molecular formula C18H16BrN3O3 and molecular weight 401.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[1-(3-bromophenyl)-2-nitroethyl]-5-methyl-2-phenyl-1H-pyrazol-3-one
Also Known As: 4-(1-(3-bromophenyl)-2-nitroethyl)-3-methyl-1-phenyl-1H-pyrazol-5-ol, 4-[1-(3-bromophenyl)-2-nitroethyl]-3-methyl-1-phenyl-1H-pyrazol-5-ol, 4-[1-(3-bromophenyl)-2-nitroethyl]-5-methyl-2-phenyl-1H-pyrazol-3-one, F1310-0166, 4-[1-(3-bromophenyl)-2-nitroethyl]-3-methyl-1-phenylpyrazol-5-ol
| Molecular Formula | C18H16BrN3O3 |
|---|---|
| Molecular Weight | 401.04 g/mol |
| LogP | 3.64512 |
| Topological Polar Surface Area | 80.93 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 401.0375 |
| Heavy Atoms | 25 |
| Complexity | 963.1977 |
Chemical Identifiers
| CAS Number | 1007186-25-5 |
|---|---|
| SMILES | CC1=C(C(=O)N(N1)C2=CC=CC=C2)C(C[N+](=O)[O-])C3=CC(=CC=C3)Br |
Product Overview
4-(1-(3-bromophenyl)-2-nitroethyl)-3-methyl-1-phenyl-1H-pyrazol-5-ol (CAS 1007186-25-5), with molecular formula C18H16BrN3O3 and molecular weight 401.04 g/mol. IUPAC: 4-[1-(3-bromophenyl)-2-nitroethyl]-5-methyl-2-phenyl-1H-pyrazol-3-one.
Chemical Property Profile of 4-(1-(3-bromophenyl)-2-nitroethyl)-3-methyl-1-phenyl-1H-pyrazol-5-ol
Property Insights of 4-(1-(3-bromophenyl)-2-nitroethyl)-3-methyl-1-phenyl-1H-pyrazol-5-ol
The XLogP value of 3.64512 indicates that 4-(1-(3-bromophenyl)-2-nitroethyl)-3-methyl-1-phenyl-1H-pyrazol-5-ol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.93 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(1-(3-bromophenyl)-2-nitroethyl)-3-methyl-1-phenyl-1H-pyrazol-5-ol. Following Lipinski's Rule of Five, 4-(1-(3-bromophenyl)-2-nitroethyl)-3-methyl-1-phenyl-1H-pyrazol-5-ol has 1 hydrogen bond donor(s) and 3 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 4-(1-(3-bromophenyl)-2-nitroethyl)-3-methyl-1-phenyl-1H-pyrazol-5-ol?
The CAS number of 4-(1-(3-bromophenyl)-2-nitroethyl)-3-methyl-1-phenyl-1H-pyrazol-5-ol is 1007186-25-5.
What is the molecular formula of 4-(1-(3-bromophenyl)-2-nitroethyl)-3-methyl-1-phenyl-1H-pyrazol-5-ol?
The molecular formula of 4-(1-(3-bromophenyl)-2-nitroethyl)-3-methyl-1-phenyl-1H-pyrazol-5-ol is C18H16BrN3O3.
What is the molecular weight of 4-(1-(3-bromophenyl)-2-nitroethyl)-3-methyl-1-phenyl-1H-pyrazol-5-ol?
The molecular weight of 4-(1-(3-bromophenyl)-2-nitroethyl)-3-methyl-1-phenyl-1H-pyrazol-5-ol is 401.04 g/mol.
Where can I buy 4-(1-(3-bromophenyl)-2-nitroethyl)-3-methyl-1-phenyl-1H-pyrazol-5-ol?
You can request a quote for 4-(1-(3-bromophenyl)-2-nitroethyl)-3-methyl-1-phenyl-1H-pyrazol-5-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(1-(3-bromophenyl)-2-nitroethyl)-3-methyl-1-phenyl-1H-pyrazol-5-ol?
Yes, KEHONG BIO provides custom synthesis services for 4-(1-(3-bromophenyl)-2-nitroethyl)-3-methyl-1-phenyl-1H-pyrazol-5-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.