4-溴-5-甲基-1H-吡唑-3-甲酸
TL;DR: 4-溴-5-甲基-1H-吡唑-3-甲酸 (CAS 861382-63-0) is a chemical compound with molecular formula C5H5BrN2O2 and molecular weight 203.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-溴-5-甲基-1H-吡唑-3-甲酸
4-bromo-5-methyl-1H-pyrazole-3-carboxylic acid
Also Known As: 4-bromo-5-methyl-1H-pyrazole-3-carboxylic acid, 4-bromo-3-methyl-1H-pyrazole-5-carboxylic acid, bromomethylpyrazolecarboxylicacid, 2-[(2-thienylmethyl)amino]-1-butanol, 4-bromo-3-methyl-5-pyrazolecarboxylic acid
| Molecular Formula | C5H5BrN2O2 |
|---|---|
| Molecular Weight | 203.95 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 66.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 203.95345 |
| Heavy Atoms | 10 |
| Complexity | 153.0 |
Chemical Identifiers
| CAS Number | 861382-63-0 |
|---|---|
| SMILES | CC1=C(C(=NN1)C(=O)O)Br |
| InChIKey | XIZPNSLYWMMPNI-UHFFFAOYSA-N |
Product Overview
4-溴-5-甲基-1H-吡唑-3-甲酸 (CAS 861382-63-0), with molecular formula C5H5BrN2O2 and molecular weight 203.95 g/mol. IUPAC: 4-bromo-5-methyl-1H-pyrazole-3-carboxylic acid.
Chemical Property Profile of 4-溴-5-甲基-1H-吡唑-3-甲酸
Property Insights of 4-溴-5-甲基-1H-吡唑-3-甲酸
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-溴-5-甲基-1H-吡唑-3-甲酸. The TPSA of 66.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-溴-5-甲基-1H-吡唑-3-甲酸. Following Lipinski's Rule of Five, 4-溴-5-甲基-1H-吡唑-3-甲酸 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 4-溴-5-甲基-1H-吡唑-3-甲酸?
The CAS number of 4-溴-5-甲基-1H-吡唑-3-甲酸 is 861382-63-0.
What is the molecular formula of 4-溴-5-甲基-1H-吡唑-3-甲酸?
The molecular formula of 4-溴-5-甲基-1H-吡唑-3-甲酸 is C5H5BrN2O2.
What is the molecular weight of 4-溴-5-甲基-1H-吡唑-3-甲酸?
The molecular weight of 4-溴-5-甲基-1H-吡唑-3-甲酸 is 203.95 g/mol.
Where can I buy 4-溴-5-甲基-1H-吡唑-3-甲酸?
You can request a quote for 4-溴-5-甲基-1H-吡唑-3-甲酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-溴-5-甲基-1H-吡唑-3-甲酸?
Yes, KEHONG BIO provides custom synthesis services for 4-溴-5-甲基-1H-吡唑-3-甲酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.