Pyrazole-1-butyric acid
TL;DR: Pyrazole-1-butyric acid (CAS 946772-53-8) is a chemical compound with molecular formula C7H10N2O2 and molecular weight 154.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-pyrazol-1-ylbutanoic acid
Also Known As: 4-(1H-pyrazol-1-yl)butanoic acid, Pyrazole-1-butyric acid, 1H-Pyrazole-1-butanoic acid, 4-pyrazol-1-ylbutanoic acid, 1H-Pyrazole-1-butanoicacid
| Molecular Formula | C7H10N2O2 |
|---|---|
| Molecular Weight | 154.07 g/mol |
| LogP | 0.7479 |
| Topological Polar Surface Area | 55.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 154.07423 |
| Heavy Atoms | 11 |
| Complexity | 218.35426 |
Chemical Identifiers
| CAS Number | 946772-53-8 |
|---|---|
| SMILES | C1=CN(N=C1)CCCC(=O)O |
Product Overview
Pyrazole-1-butyric acid (CAS 946772-53-8), with molecular formula C7H10N2O2 and molecular weight 154.07 g/mol. IUPAC: 4-pyrazol-1-ylbutanoic acid.
Chemical Property Profile of Pyrazole-1-butyric acid
Property Insights of Pyrazole-1-butyric acid
The XLogP value of 0.7479 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pyrazole-1-butyric acid. With a topological polar surface area (TPSA) of 55.12 Ų, Pyrazole-1-butyric acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pyrazole-1-butyric acid has 1 hydrogen bond donor(s) and 2 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 Pyrazole-1-butyric acid?
The CAS number of Pyrazole-1-butyric acid is 946772-53-8.
What is the molecular formula of Pyrazole-1-butyric acid?
The molecular formula of Pyrazole-1-butyric acid is C7H10N2O2.
What is the molecular weight of Pyrazole-1-butyric acid?
The molecular weight of Pyrazole-1-butyric acid is 154.07 g/mol.
Where can I buy Pyrazole-1-butyric acid?
You can request a quote for Pyrazole-1-butyric acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pyrazole-1-butyric acid?
Yes, KEHONG BIO provides custom synthesis services for Pyrazole-1-butyric acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.