1h-pyrazole-3,4-dicarboxylic Acid, 1-(3-methylphenyl)-5-(4-bromophenyl)-
TL;DR: 1h-pyrazole-3,4-dicarboxylic Acid, 1-(3-methylphenyl)-5-(4-bromophenyl)- (CAS 96734-63-3) is a chemical compound with molecular formula C18H13BrN2O4 and molecular weight 400.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(4-bromophenyl)-1-(3-methylphenyl)pyrazole-3,4-dicarboxylic acid
Also Known As: 1h-pyrazole-3,4-dicarboxylic Acid, 1-(3-methylphenyl)-5-(4-bromophenyl)-, 5-(4-bromophenyl)-1-(3-methylphenyl)pyrazole-3,4-dicarboxylic acid, 1H-Pyrazole-3,4-dicarboxylicacid, 5-(4-bromophenyl)-1-(3-methylphenyl)-, 1H-Pyrazole-3,4-dicarboxylicacid,5-(4-bromophenyl)-1-(3-methylphenyl), 5-(4-Bromophenyl)-1-(3-methylphenyl)-1H-pyrazole-3,4-dicarboxylic acid
| Molecular Formula | C18H13BrN2O4 |
|---|---|
| Molecular Weight | 400.01 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 92.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 400.00586 |
| Heavy Atoms | 25 |
| Complexity | 509.0 |
Chemical Identifiers
| CAS Number | 96734-63-3 |
|---|---|
| SMILES | CC1=CC(=CC=C1)N2C(=C(C(=N2)C(=O)O)C(=O)O)C3=CC=C(C=C3)Br |
| InChIKey | AFXGBNQPJCLAOC-UHFFFAOYSA-N |
Product Overview
1h-pyrazole-3,4-dicarboxylic Acid, 1-(3-methylphenyl)-5-(4-bromophenyl)- (CAS 96734-63-3), with molecular formula C18H13BrN2O4 and molecular weight 400.01 g/mol. IUPAC: 5-(4-bromophenyl)-1-(3-methylphenyl)pyrazole-3,4-dicarboxylic acid.
Chemical Property Profile of 1h-pyrazole-3,4-dicarboxylic Acid, 1-(3-methylphenyl)-5-(4-bromophenyl)-
Property Insights of 1h-pyrazole-3,4-dicarboxylic Acid, 1-(3-methylphenyl)-5-(4-bromophenyl)-
The XLogP value of 4.0 indicates that 1h-pyrazole-3,4-dicarboxylic Acid, 1-(3-methylphenyl)-5-(4-bromophenyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 1h-pyrazole-3,4-dicarboxylic Acid, 1-(3-methylphenyl)-5-(4-bromophenyl)-. Following Lipinski's Rule of Five, 1h-pyrazole-3,4-dicarboxylic Acid, 1-(3-methylphenyl)-5-(4-bromophenyl)- has 2 hydrogen bond donor(s) and 5 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 1h-pyrazole-3,4-dicarboxylic Acid, 1-(3-methylphenyl)-5-(4-bromophenyl)-?
The CAS number of 1h-pyrazole-3,4-dicarboxylic Acid, 1-(3-methylphenyl)-5-(4-bromophenyl)- is 96734-63-3.
What is the molecular formula of 1h-pyrazole-3,4-dicarboxylic Acid, 1-(3-methylphenyl)-5-(4-bromophenyl)-?
The molecular formula of 1h-pyrazole-3,4-dicarboxylic Acid, 1-(3-methylphenyl)-5-(4-bromophenyl)- is C18H13BrN2O4.
What is the molecular weight of 1h-pyrazole-3,4-dicarboxylic Acid, 1-(3-methylphenyl)-5-(4-bromophenyl)-?
The molecular weight of 1h-pyrazole-3,4-dicarboxylic Acid, 1-(3-methylphenyl)-5-(4-bromophenyl)- is 400.01 g/mol.
Where can I buy 1h-pyrazole-3,4-dicarboxylic Acid, 1-(3-methylphenyl)-5-(4-bromophenyl)-?
You can request a quote for 1h-pyrazole-3,4-dicarboxylic Acid, 1-(3-methylphenyl)-5-(4-bromophenyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1h-pyrazole-3,4-dicarboxylic Acid, 1-(3-methylphenyl)-5-(4-bromophenyl)-?
Yes, KEHONG BIO provides custom synthesis services for 1h-pyrazole-3,4-dicarboxylic Acid, 1-(3-methylphenyl)-5-(4-bromophenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.