3-(4-Bromophenyl)-1,4-dihydropyrazol-5-one
TL;DR: 3-(4-Bromophenyl)-1,4-dihydropyrazol-5-one (CAS 103095-74-5) is a chemical compound with molecular formula C9H7BrN2O and molecular weight 237.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-bromophenyl)-1,4-dihydropyrazol-5-one
Also Known As: 3-(4-bromophenyl)-1,4-dihydropyrazol-5-one, 3-(4-Bromophenyl)-1H-pyrazol-5-ol, Pyrazol-5(4H)-one, 3-(4-bromophenyl)-, 5-(4-Bromophenyl)-2,4-dihydro-3H-pyrazol-3-one, 5-(4-Bromophenyl)-2,4-dihydro-3H-pyrazol-3-one #
| Molecular Formula | C9H7BrN2O |
|---|---|
| Molecular Weight | 237.97 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 41.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 237.97418 |
| Heavy Atoms | 13 |
| Complexity | 244.0 |
Chemical Identifiers
| CAS Number | 103095-74-5 |
|---|---|
| SMILES | C1C(=NNC1=O)C2=CC=C(C=C2)Br |
| InChIKey | WESYQPCMJBXDKK-UHFFFAOYSA-N |
Product Overview
3-(4-Bromophenyl)-1,4-dihydropyrazol-5-one (CAS 103095-74-5), with molecular formula C9H7BrN2O and molecular weight 237.97 g/mol. IUPAC: 3-(4-bromophenyl)-1,4-dihydropyrazol-5-one.
Chemical Property Profile of 3-(4-Bromophenyl)-1,4-dihydropyrazol-5-one
Property Insights of 3-(4-Bromophenyl)-1,4-dihydropyrazol-5-one
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(4-Bromophenyl)-1,4-dihydropyrazol-5-one. With a topological polar surface area (TPSA) of 41.5 Ų, 3-(4-Bromophenyl)-1,4-dihydropyrazol-5-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-Bromophenyl)-1,4-dihydropyrazol-5-one has 1 hydrogen bond donor(s) and 2 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 3-(4-Bromophenyl)-1,4-dihydropyrazol-5-one?
The CAS number of 3-(4-Bromophenyl)-1,4-dihydropyrazol-5-one is 103095-74-5.
What is the molecular formula of 3-(4-Bromophenyl)-1,4-dihydropyrazol-5-one?
The molecular formula of 3-(4-Bromophenyl)-1,4-dihydropyrazol-5-one is C9H7BrN2O.
What is the molecular weight of 3-(4-Bromophenyl)-1,4-dihydropyrazol-5-one?
The molecular weight of 3-(4-Bromophenyl)-1,4-dihydropyrazol-5-one is 237.97 g/mol.
Where can I buy 3-(4-Bromophenyl)-1,4-dihydropyrazol-5-one?
You can request a quote for 3-(4-Bromophenyl)-1,4-dihydropyrazol-5-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-Bromophenyl)-1,4-dihydropyrazol-5-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Bromophenyl)-1,4-dihydropyrazol-5-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.