3-(3-bromophenyl)-1H-pyrazole-4-carbaldehyde
TL;DR: 3-(3-bromophenyl)-1H-pyrazole-4-carbaldehyde (CAS 696646-49-8) is a chemical compound with molecular formula C10H7BrN2O and molecular weight 249.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(3-bromophenyl)-1H-pyrazole-4-carbaldehyde
Also Known As: 3-(3-bromophenyl)-1H-pyrazole-4-carbaldehyde, 5-(3-bromophenyl)-1H-pyrazole-4-carbaldehyde, 3-(3-bromophenyl)-2H-pyrazole-4-carbaldehyde, 893-833-1, RefChem:491785
| Molecular Formula | C10H7BrN2O |
|---|---|
| Molecular Weight | 249.97 g/mol |
| LogP | 2.6517 |
| Topological Polar Surface Area | 45.75 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 249.97418 |
| Heavy Atoms | 14 |
| Complexity | 464.65048 |
Chemical Identifiers
| CAS Number | 696646-49-8 |
|---|---|
| SMILES | C1=CC(=CC(=C1)Br)C2=C(C=NN2)C=O |
Product Overview
3-(3-bromophenyl)-1H-pyrazole-4-carbaldehyde (CAS 696646-49-8), with molecular formula C10H7BrN2O and molecular weight 249.97 g/mol. IUPAC: 5-(3-bromophenyl)-1H-pyrazole-4-carbaldehyde.
Chemical Property Profile of 3-(3-bromophenyl)-1H-pyrazole-4-carbaldehyde
Property Insights of 3-(3-bromophenyl)-1H-pyrazole-4-carbaldehyde
The XLogP value of 2.6517 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(3-bromophenyl)-1H-pyrazole-4-carbaldehyde. With a topological polar surface area (TPSA) of 45.75 Ų, 3-(3-bromophenyl)-1H-pyrazole-4-carbaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(3-bromophenyl)-1H-pyrazole-4-carbaldehyde 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-(3-bromophenyl)-1H-pyrazole-4-carbaldehyde?
The CAS number of 3-(3-bromophenyl)-1H-pyrazole-4-carbaldehyde is 696646-49-8.
What is the molecular formula of 3-(3-bromophenyl)-1H-pyrazole-4-carbaldehyde?
The molecular formula of 3-(3-bromophenyl)-1H-pyrazole-4-carbaldehyde is C10H7BrN2O.
What is the molecular weight of 3-(3-bromophenyl)-1H-pyrazole-4-carbaldehyde?
The molecular weight of 3-(3-bromophenyl)-1H-pyrazole-4-carbaldehyde is 249.97 g/mol.
Where can I buy 3-(3-bromophenyl)-1H-pyrazole-4-carbaldehyde?
You can request a quote for 3-(3-bromophenyl)-1H-pyrazole-4-carbaldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(3-bromophenyl)-1H-pyrazole-4-carbaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 3-(3-bromophenyl)-1H-pyrazole-4-carbaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.