3-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)butanoic acid
TL;DR: 3-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)butanoic acid (CAS 890596-64-2) is a chemical compound with molecular formula C9H13BrN2O2 and molecular weight 260.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-bromo-3,5-dimethylpyrazol-1-yl)butanoic acid
Also Known As: 3-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)butanoic acid, 3-(4-Bromo-3,5-dimethyl-pyrazol-1-yl)-butyric acid, 3-(4-bromo-3,5-dimethylpyrazol-1-yl)butanoic acid, BAS 09717451, VU0508580-1
| Molecular Formula | C9H13BrN2O2 |
|---|---|
| Molecular Weight | 260.02 g/mol |
| LogP | 2.29814 |
| Topological Polar Surface Area | 55.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 260.01605 |
| Heavy Atoms | 14 |
| Complexity | 359.9391 |
Chemical Identifiers
| CAS Number | 890596-64-2 |
|---|---|
| SMILES | CC1=C(C(=NN1C(C)CC(=O)O)C)Br |
Product Overview
3-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)butanoic acid (CAS 890596-64-2), with molecular formula C9H13BrN2O2 and molecular weight 260.02 g/mol. IUPAC: 3-(4-bromo-3,5-dimethylpyrazol-1-yl)butanoic acid.
Chemical Property Profile of 3-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)butanoic acid
Property Insights of 3-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)butanoic acid
The XLogP value of 2.29814 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)butanoic acid. With a topological polar surface area (TPSA) of 55.12 Ų, 3-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)butanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)butanoic 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 3-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)butanoic acid?
The CAS number of 3-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)butanoic acid is 890596-64-2.
What is the molecular formula of 3-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)butanoic acid?
The molecular formula of 3-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)butanoic acid is C9H13BrN2O2.
What is the molecular weight of 3-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)butanoic acid?
The molecular weight of 3-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)butanoic acid is 260.02 g/mol.
Where can I buy 3-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)butanoic acid?
You can request a quote for 3-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)butanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)butanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)butanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.