吡唑-3,5-二甲酸
TL;DR: 吡唑-3,5-二甲酸 (CAS 3112-31-0) is a chemical compound with molecular formula C5H4N2O4 and molecular weight 156.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
吡唑-3,5-二甲酸
1H-pyrazole-3,5-dicarboxylic acid
Also Known As: 1H-Pyrazole-3,5-dicarboxylic acid, 3,5-Pyrazoledicarboxylic acid, Pyrazole-3,5-dicarboxylic acid, zlchem 726, 3,5-Dicarboxypyrazole
| Molecular Formula | C5H4N2O4 |
|---|---|
| Molecular Weight | 156.02 g/mol |
| LogP | -0.1 |
| Topological Polar Surface Area | 103.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 156.0171 |
| Heavy Atoms | 11 |
| Complexity | 193.0 |
Chemical Identifiers
| CAS Number | 3112-31-0 |
|---|---|
| SMILES | C1=C(NN=C1C(=O)O)C(=O)O |
| InChIKey | YDMVPJZBYSWOOP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
吡唑-3,5-二甲酸 (CAS 3112-31-0), with molecular formula C5H4N2O4 and molecular weight 156.02 g/mol. IUPAC: 1H-pyrazole-3,5-dicarboxylic acid.
Chemical Property Profile of 吡唑-3,5-二甲酸
Property Insights of 吡唑-3,5-二甲酸
The XLogP value of -0.1 indicates that 吡唑-3,5-二甲酸 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 103.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 吡唑-3,5-二甲酸. Following Lipinski's Rule of Five, 吡唑-3,5-二甲酸 has 3 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 吡唑-3,5-二甲酸?
The CAS number of 吡唑-3,5-二甲酸 is 3112-31-0.
What is the molecular formula of 吡唑-3,5-二甲酸?
The molecular formula of 吡唑-3,5-二甲酸 is C5H4N2O4.
What is the molecular weight of 吡唑-3,5-二甲酸?
The molecular weight of 吡唑-3,5-二甲酸 is 156.02 g/mol.
Where can I buy 吡唑-3,5-二甲酸?
You can request a quote for 吡唑-3,5-二甲酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 吡唑-3,5-二甲酸?
Yes, KEHONG BIO provides custom synthesis services for 吡唑-3,5-二甲酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.