3,4-dibromo-1H-pyrazole-5-carboxylic acid
TL;DR: 3,4-dibromo-1H-pyrazole-5-carboxylic acid (CAS 13745-16-9) is a chemical compound with molecular formula C4H2Br2N2O2 and molecular weight 267.85 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,5-dibromo-1H-pyrazole-3-carboxylic acid
Also Known As: 3,4-dibromo-1H-pyrazole-5-carboxylic acid, 4,5-dibromo-1H-pyrazole-3-carboxylic Acid, 3,4-dibromopyrazole-5-carboxylic acid, 3,4-Dibromo-1H-pyrazole-5-carboxylicacid, 4,5-Dibromo-2 H -pyrazole-3-carboxylic acid
| Molecular Formula | C4H2Br2N2O2 |
|---|---|
| Molecular Weight | 267.85 g/mol |
| LogP | 1.6329 |
| Topological Polar Surface Area | 65.98 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 267.8483 |
| Heavy Atoms | 10 |
| Complexity | 270.22134 |
Chemical Identifiers
| CAS Number | 13745-16-9 |
|---|---|
| SMILES | C1(=C(NN=C1C(=O)O)Br)Br |
Product Overview
3,4-dibromo-1H-pyrazole-5-carboxylic acid (CAS 13745-16-9), with molecular formula C4H2Br2N2O2 and molecular weight 267.85 g/mol. IUPAC: 4,5-dibromo-1H-pyrazole-3-carboxylic acid.
Chemical Property Profile of 3,4-dibromo-1H-pyrazole-5-carboxylic acid
Property Insights of 3,4-dibromo-1H-pyrazole-5-carboxylic acid
The XLogP value of 1.6329 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,4-dibromo-1H-pyrazole-5-carboxylic acid. The TPSA of 65.98 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,4-dibromo-1H-pyrazole-5-carboxylic acid. Following Lipinski's Rule of Five, 3,4-dibromo-1H-pyrazole-5-carboxylic acid has 2 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-dibromo-1H-pyrazole-5-carboxylic acid?
The CAS number of 3,4-dibromo-1H-pyrazole-5-carboxylic acid is 13745-16-9.
What is the molecular formula of 3,4-dibromo-1H-pyrazole-5-carboxylic acid?
The molecular formula of 3,4-dibromo-1H-pyrazole-5-carboxylic acid is C4H2Br2N2O2.
What is the molecular weight of 3,4-dibromo-1H-pyrazole-5-carboxylic acid?
The molecular weight of 3,4-dibromo-1H-pyrazole-5-carboxylic acid is 267.85 g/mol.
Where can I buy 3,4-dibromo-1H-pyrazole-5-carboxylic acid?
You can request a quote for 3,4-dibromo-1H-pyrazole-5-carboxylic 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-dibromo-1H-pyrazole-5-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 3,4-dibromo-1H-pyrazole-5-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.