1h-pyrazole-3,4-dicarboxylic Acid, 1-(3-methylphenyl)-5-(4-chlorophenyl)-
TL;DR: 1h-pyrazole-3,4-dicarboxylic Acid, 1-(3-methylphenyl)-5-(4-chlorophenyl)- (CAS 96734-59-7) is a chemical compound with molecular formula C18H13ClN2O4 and molecular weight 356.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(4-chlorophenyl)-1-(3-methylphenyl)pyrazole-3,4-dicarboxylic acid
Also Known As: 1h-pyrazole-3,4-dicarboxylic Acid, 1-(3-methylphenyl)-5-(4-chlorophenyl)-, 5-(4-chlorophenyl)-1-(3-methylphenyl)-1H-pyrazole-3,4-dicarboxylic acid, 5-(4-chlorophenyl)-1-(3-methylphenyl)pyrazole-3,4-dicarboxylic acid
| Molecular Formula | C18H13ClN2O4 |
|---|---|
| Molecular Weight | 356.06 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 92.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 356.0564 |
| Heavy Atoms | 25 |
| Complexity | 509.0 |
Chemical Identifiers
| CAS Number | 96734-59-7 |
|---|---|
| SMILES | CC1=CC(=CC=C1)N2C(=C(C(=N2)C(=O)O)C(=O)O)C3=CC=C(C=C3)Cl |
| InChIKey | HLVYGMDLAVQGNG-UHFFFAOYSA-N |
Product Overview
1h-pyrazole-3,4-dicarboxylic Acid, 1-(3-methylphenyl)-5-(4-chlorophenyl)- (CAS 96734-59-7), with molecular formula C18H13ClN2O4 and molecular weight 356.06 g/mol. IUPAC: 5-(4-chlorophenyl)-1-(3-methylphenyl)pyrazole-3,4-dicarboxylic acid.
Chemical Property Profile of 1h-pyrazole-3,4-dicarboxylic Acid, 1-(3-methylphenyl)-5-(4-chlorophenyl)-
Property Insights of 1h-pyrazole-3,4-dicarboxylic Acid, 1-(3-methylphenyl)-5-(4-chlorophenyl)-
The XLogP value of 3.9 indicates that 1h-pyrazole-3,4-dicarboxylic Acid, 1-(3-methylphenyl)-5-(4-chlorophenyl)- 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-chlorophenyl)-. Following Lipinski's Rule of Five, 1h-pyrazole-3,4-dicarboxylic Acid, 1-(3-methylphenyl)-5-(4-chlorophenyl)- 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-chlorophenyl)-?
The CAS number of 1h-pyrazole-3,4-dicarboxylic Acid, 1-(3-methylphenyl)-5-(4-chlorophenyl)- is 96734-59-7.
What is the molecular formula of 1h-pyrazole-3,4-dicarboxylic Acid, 1-(3-methylphenyl)-5-(4-chlorophenyl)-?
The molecular formula of 1h-pyrazole-3,4-dicarboxylic Acid, 1-(3-methylphenyl)-5-(4-chlorophenyl)- is C18H13ClN2O4.
What is the molecular weight of 1h-pyrazole-3,4-dicarboxylic Acid, 1-(3-methylphenyl)-5-(4-chlorophenyl)-?
The molecular weight of 1h-pyrazole-3,4-dicarboxylic Acid, 1-(3-methylphenyl)-5-(4-chlorophenyl)- is 356.06 g/mol.
Where can I buy 1h-pyrazole-3,4-dicarboxylic Acid, 1-(3-methylphenyl)-5-(4-chlorophenyl)-?
You can request a quote for 1h-pyrazole-3,4-dicarboxylic Acid, 1-(3-methylphenyl)-5-(4-chlorophenyl)- 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-chlorophenyl)-?
Yes, KEHONG BIO provides custom synthesis services for 1h-pyrazole-3,4-dicarboxylic Acid, 1-(3-methylphenyl)-5-(4-chlorophenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.