2-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)succinic acid
TL;DR: 2-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)succinic acid (CAS 90561-06-1) is a chemical compound with molecular formula C9H11BrN2O4 and molecular weight 289.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-bromo-3,5-dimethylpyrazol-1-yl)butanedioic acid
Also Known As: 2-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)succinic acid, 2-(4-Bromo-3,5-dimethyl-pyrazol-1-yl)-succinic acid, BAS 00222660, 2-(4-bromo-3,5-dimethylpyrazol-1-yl)butanedioic acid, 2-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)butanedioic acid
| Molecular Formula | C9H11BrN2O4 |
|---|---|
| Molecular Weight | 289.99 g/mol |
| LogP | 1.36284 |
| Topological Polar Surface Area | 92.42 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 289.99023 |
| Heavy Atoms | 16 |
| Complexity | 440.96252 |
Chemical Identifiers
| CAS Number | 90561-06-1 |
|---|---|
| SMILES | CC1=C(C(=NN1C(CC(=O)O)C(=O)O)C)Br |
Product Overview
2-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)succinic acid (CAS 90561-06-1), with molecular formula C9H11BrN2O4 and molecular weight 289.99 g/mol. IUPAC: 2-(4-bromo-3,5-dimethylpyrazol-1-yl)butanedioic acid.
Chemical Property Profile of 2-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)succinic acid
Property Insights of 2-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)succinic acid
The XLogP value of 1.36284 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)succinic acid. The TPSA of 92.42 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)succinic acid. Following Lipinski's Rule of Five, 2-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)succinic acid 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 2-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)succinic acid?
The CAS number of 2-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)succinic acid is 90561-06-1.
What is the molecular formula of 2-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)succinic acid?
The molecular formula of 2-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)succinic acid is C9H11BrN2O4.
What is the molecular weight of 2-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)succinic acid?
The molecular weight of 2-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)succinic acid is 289.99 g/mol.
Where can I buy 2-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)succinic acid?
You can request a quote for 2-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)succinic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)succinic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)succinic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.