1H-Pyrazole-1-acetic acid, 3-methoxy-4-nitro-
TL;DR: 1H-Pyrazole-1-acetic acid, 3-methoxy-4-nitro- (CAS 512809-53-9) is a chemical compound with molecular formula C6H7N3O5 and molecular weight 201.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-methoxy-4-nitropyrazol-1-yl)acetic acid
Also Known As: 2-(3-methoxy-4-nitro-1H-pyrazol-1-yl)acetic acid, (3-methoxy-4-nitro-1H-pyrazol-1-yl)acetic acid, 2-(3-methoxy-4-nitropyrazol-1-yl)acetic acid, 2-(3-methoxy-4-nitro-pyrazol-1-yl)acetic Acid, 2-(3-methoxy-4-nitropyrazolyl)acetic acid
| Molecular Formula | C6H7N3O5 |
|---|---|
| Molecular Weight | 201.04 g/mol |
| LogP | -0.1155 |
| Topological Polar Surface Area | 107.49 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 201.03857 |
| Heavy Atoms | 14 |
| Complexity | 371.5439 |
Chemical Identifiers
| CAS Number | 512809-53-9 |
|---|---|
| SMILES | COC1=NN(C=C1[N+](=O)[O-])CC(=O)O |
Product Overview
1H-Pyrazole-1-acetic acid, 3-methoxy-4-nitro- (CAS 512809-53-9), with molecular formula C6H7N3O5 and molecular weight 201.04 g/mol. IUPAC: 2-(3-methoxy-4-nitropyrazol-1-yl)acetic acid.
Chemical Property Profile of 1H-Pyrazole-1-acetic acid, 3-methoxy-4-nitro-
Property Insights of 1H-Pyrazole-1-acetic acid, 3-methoxy-4-nitro-
The XLogP value of -0.1155 indicates that 1H-Pyrazole-1-acetic acid, 3-methoxy-4-nitro- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 107.49 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-Pyrazole-1-acetic acid, 3-methoxy-4-nitro-. Following Lipinski's Rule of Five, 1H-Pyrazole-1-acetic acid, 3-methoxy-4-nitro- has 1 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 1H-Pyrazole-1-acetic acid, 3-methoxy-4-nitro-?
The CAS number of 1H-Pyrazole-1-acetic acid, 3-methoxy-4-nitro- is 512809-53-9.
What is the molecular formula of 1H-Pyrazole-1-acetic acid, 3-methoxy-4-nitro-?
The molecular formula of 1H-Pyrazole-1-acetic acid, 3-methoxy-4-nitro- is C6H7N3O5.
What is the molecular weight of 1H-Pyrazole-1-acetic acid, 3-methoxy-4-nitro-?
The molecular weight of 1H-Pyrazole-1-acetic acid, 3-methoxy-4-nitro- is 201.04 g/mol.
Where can I buy 1H-Pyrazole-1-acetic acid, 3-methoxy-4-nitro-?
You can request a quote for 1H-Pyrazole-1-acetic acid, 3-methoxy-4-nitro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Pyrazole-1-acetic acid, 3-methoxy-4-nitro-?
Yes, KEHONG BIO provides custom synthesis services for 1H-Pyrazole-1-acetic acid, 3-methoxy-4-nitro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.