3-硼基-1H-吡唑-5-甲酸
TL;DR: 3-硼基-1H-吡唑-5-甲酸 (CAS 90567-45-6) is a chemical compound with molecular formula C4H5BN2O4 and molecular weight 156.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-硼基-1H-吡唑-5-甲酸
5-borono-1H-pyrazole-3-carboxylic acid
Also Known As: 3-borono-1H-pyrazole-5-carboxylic acid, 5-borono-1H-pyrazole-3-carboxylic acid, 5-(dihydroxyboranyl)-1H-pyrazole-3-carboxylic acid, Pyrazole-3(or 5)-carboxylic acid, 5(or 3)-borono-, Pyrazole-3(or 5)-carboxylic acid, 5(or 3)-borono- (7CI)
| Molecular Formula | C4H5BN2O4 |
|---|---|
| Molecular Weight | 156.03 g/mol |
| LogP | -2.2123 |
| Topological Polar Surface Area | 106.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 156.03424 |
| Heavy Atoms | 11 |
| Complexity | 164.0 |
Chemical Identifiers
| CAS Number | 90567-45-6 |
|---|---|
| SMILES | B(C1=CC(=NN1)C(=O)O)(O)O |
| InChIKey | GUYCLYJWXICSGN-UHFFFAOYSA-N |
Product Overview
3-硼基-1H-吡唑-5-甲酸 (CAS 90567-45-6), with molecular formula C4H5BN2O4 and molecular weight 156.03 g/mol. IUPAC: 5-borono-1H-pyrazole-3-carboxylic acid.
Chemical Property Profile of 3-硼基-1H-吡唑-5-甲酸
Property Insights of 3-硼基-1H-吡唑-5-甲酸
The XLogP value of -2.2123 indicates that 3-硼基-1H-吡唑-5-甲酸 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 106.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-硼基-1H-吡唑-5-甲酸. Following Lipinski's Rule of Five, 3-硼基-1H-吡唑-5-甲酸 has 4 hydrogen bond donor(s) and 5 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-硼基-1H-吡唑-5-甲酸?
The CAS number of 3-硼基-1H-吡唑-5-甲酸 is 90567-45-6.
What is the molecular formula of 3-硼基-1H-吡唑-5-甲酸?
The molecular formula of 3-硼基-1H-吡唑-5-甲酸 is C4H5BN2O4.
What is the molecular weight of 3-硼基-1H-吡唑-5-甲酸?
The molecular weight of 3-硼基-1H-吡唑-5-甲酸 is 156.03 g/mol.
Where can I buy 3-硼基-1H-吡唑-5-甲酸?
You can request a quote for 3-硼基-1H-吡唑-5-甲酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-硼基-1H-吡唑-5-甲酸?
Yes, KEHONG BIO provides custom synthesis services for 3-硼基-1H-吡唑-5-甲酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.