1H-Pyrazole-4-acetic acid, 1-phenyl-3-(2-thienyl)-
TL;DR: 1H-Pyrazole-4-acetic acid, 1-phenyl-3-(2-thienyl)- (CAS 88696-85-9) is a chemical compound with molecular formula C15H12N2O2S and molecular weight 284.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)acetic acid
Also Known As: 1H-Pyrazole-4-acetic acid, 1-phenyl-3-(2-thienyl)-, 2-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)acetic acid, [1-Phenyl-3-(thiophen-2-yl)-1H-pyrazol-4-yl]acetic acid, 2-(1-Phenyl-3-(thiophen-2-yl)-1H-pyrazol-4-yl)acetic acid
| Molecular Formula | C15H12N2O2S |
|---|---|
| Molecular Weight | 284.06 g/mol |
| LogP | 3.2279 |
| Topological Polar Surface Area | 55.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 284.06195 |
| Heavy Atoms | 20 |
| Complexity | 717.6837 |
Chemical Identifiers
| CAS Number | 88696-85-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=CS3)CC(=O)O |
Product Overview
1H-Pyrazole-4-acetic acid, 1-phenyl-3-(2-thienyl)- (CAS 88696-85-9), with molecular formula C15H12N2O2S and molecular weight 284.06 g/mol. IUPAC: 2-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)acetic acid.
Chemical Property Profile of 1H-Pyrazole-4-acetic acid, 1-phenyl-3-(2-thienyl)-
Property Insights of 1H-Pyrazole-4-acetic acid, 1-phenyl-3-(2-thienyl)-
The XLogP value of 3.2279 indicates that 1H-Pyrazole-4-acetic acid, 1-phenyl-3-(2-thienyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.12 Ų, 1H-Pyrazole-4-acetic acid, 1-phenyl-3-(2-thienyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-Pyrazole-4-acetic acid, 1-phenyl-3-(2-thienyl)- 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 1H-Pyrazole-4-acetic acid, 1-phenyl-3-(2-thienyl)-?
The CAS number of 1H-Pyrazole-4-acetic acid, 1-phenyl-3-(2-thienyl)- is 88696-85-9.
What is the molecular formula of 1H-Pyrazole-4-acetic acid, 1-phenyl-3-(2-thienyl)-?
The molecular formula of 1H-Pyrazole-4-acetic acid, 1-phenyl-3-(2-thienyl)- is C15H12N2O2S.
What is the molecular weight of 1H-Pyrazole-4-acetic acid, 1-phenyl-3-(2-thienyl)-?
The molecular weight of 1H-Pyrazole-4-acetic acid, 1-phenyl-3-(2-thienyl)- is 284.06 g/mol.
Where can I buy 1H-Pyrazole-4-acetic acid, 1-phenyl-3-(2-thienyl)-?
You can request a quote for 1H-Pyrazole-4-acetic acid, 1-phenyl-3-(2-thienyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Pyrazole-4-acetic acid, 1-phenyl-3-(2-thienyl)-?
Yes, KEHONG BIO provides custom synthesis services for 1H-Pyrazole-4-acetic acid, 1-phenyl-3-(2-thienyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.