1-苯基-1H-吡唑-4-甲酸
TL;DR: 1-苯基-1H-吡唑-4-甲酸 (CAS 1134-50-5) 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.
1-苯基-1H-吡唑-4-甲酸
1-phenylpyrazole-4-carboxylic acid
Also Known As: 1-Phenyl-1H-pyrazole-4-carboxylic acid, 1-Phenylpyrazole-4-carboxylic acid, Lioresal, Pyrazole, 1, akos pao-0321
| Molecular Formula | C10H8N2O2 |
|---|---|
| Molecular Weight | 188.06 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 55.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 188.05858 |
| Heavy Atoms | 14 |
| Complexity | 214.0 |
Chemical Identifiers
| CAS Number | 1134-50-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C=C(C=N2)C(=O)O |
| InChIKey | ZROILLPDIUNLSE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-苯基-1H-吡唑-4-甲酸 (CAS 1134-50-5), with molecular formula C10H8N2O2 and molecular weight 188.06 g/mol. IUPAC: 1-phenylpyrazole-4-carboxylic acid.
Chemical Property Profile of 1-苯基-1H-吡唑-4-甲酸
Property Insights of 1-苯基-1H-吡唑-4-甲酸
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-苯基-1H-吡唑-4-甲酸. With a topological polar surface area (TPSA) of 55.1 Ų, 1-苯基-1H-吡唑-4-甲酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-苯基-1H-吡唑-4-甲酸 has 1 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 1-苯基-1H-吡唑-4-甲酸?
The CAS number of 1-苯基-1H-吡唑-4-甲酸 is 1134-50-5.
What is the molecular formula of 1-苯基-1H-吡唑-4-甲酸?
The molecular formula of 1-苯基-1H-吡唑-4-甲酸 is C10H8N2O2.
What is the molecular weight of 1-苯基-1H-吡唑-4-甲酸?
The molecular weight of 1-苯基-1H-吡唑-4-甲酸 is 188.06 g/mol.
Where can I buy 1-苯基-1H-吡唑-4-甲酸?
You can request a quote for 1-苯基-1H-吡唑-4-甲酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-苯基-1H-吡唑-4-甲酸?
Yes, KEHONG BIO provides custom synthesis services for 1-苯基-1H-吡唑-4-甲酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.