4-苯基-1H-吡唑-3-甲酸
TL;DR: 4-苯基-1H-吡唑-3-甲酸 (CAS 856061-36-4) is a chemical compound with molecular formula C10H8N2O2 and molecular weight 188.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-苯基-1H-吡唑-3-甲酸
4-phenyl-1H-pyrazole-5-carboxylic acid
Also Known As: 4-PHENYL-1H-PYRAZOLE-3-CARBOXYLIC ACID, 4-phenyl-1H-pyrazole-5-carboxylic acid, phenylpyrazolecarboxylic acid, 4-Phenylpyrazole-3-carboxylic Acid, 1H-Pyrazole-3-carboxylic acid, 4-phenyl-
| Molecular Formula | C10H8N2O2 |
|---|---|
| Molecular Weight | 188.06 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 66.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 188.05858 |
| Heavy Atoms | 14 |
| Complexity | 214.0 |
Chemical Identifiers
| CAS Number | 856061-36-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=C(NN=C2)C(=O)O |
| InChIKey | LVFUUWLMDUOBLC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-苯基-1H-吡唑-3-甲酸 (CAS 856061-36-4), with molecular formula C10H8N2O2 and molecular weight 188.06 g/mol. IUPAC: 4-phenyl-1H-pyrazole-5-carboxylic acid.
Chemical Property Profile of 4-苯基-1H-吡唑-3-甲酸
Property Insights of 4-苯基-1H-吡唑-3-甲酸
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-苯基-1H-吡唑-3-甲酸. The TPSA of 66.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-苯基-1H-吡唑-3-甲酸. Following Lipinski's Rule of Five, 4-苯基-1H-吡唑-3-甲酸 has 2 hydrogen bond donor(s) and 3 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 4-苯基-1H-吡唑-3-甲酸?
The CAS number of 4-苯基-1H-吡唑-3-甲酸 is 856061-36-4.
What is the molecular formula of 4-苯基-1H-吡唑-3-甲酸?
The molecular formula of 4-苯基-1H-吡唑-3-甲酸 is C10H8N2O2.
What is the molecular weight of 4-苯基-1H-吡唑-3-甲酸?
The molecular weight of 4-苯基-1H-吡唑-3-甲酸 is 188.06 g/mol.
Where can I buy 4-苯基-1H-吡唑-3-甲酸?
You can request a quote for 4-苯基-1H-吡唑-3-甲酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-苯基-1H-吡唑-3-甲酸?
Yes, KEHONG BIO provides custom synthesis services for 4-苯基-1H-吡唑-3-甲酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.