4-(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)butanoic acid
TL;DR: 4-(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)butanoic acid (CAS 696646-61-4) is a chemical compound with molecular formula C8H10ClN3O4 and molecular weight 247.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-chloro-5-methyl-3-nitropyrazol-1-yl)butanoic acid
Also Known As: 4-(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)butanoic acid, ZERO/001999, 4-(4-chloro-5-methyl-3-nitropyrazol-1-yl)butanoic acid, 4-(4-Chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)-butanoic acid, 1H-pyrazole-1-butanoic acid, 4-chloro-5-methyl-3-nitro-
| Molecular Formula | C8H10ClN3O4 |
|---|---|
| Molecular Weight | 247.04 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 247.03598 |
| Heavy Atoms | 16 |
| Complexity | 283.0 |
Chemical Identifiers
| CAS Number | 696646-61-4 |
|---|---|
| SMILES | CC1=C(C(=NN1CCCC(=O)O)[N+](=O)[O-])Cl |
| InChIKey | UHDDZDBGJPLMET-UHFFFAOYSA-N |
Product Overview
4-(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)butanoic acid (CAS 696646-61-4), with molecular formula C8H10ClN3O4 and molecular weight 247.04 g/mol. IUPAC: 4-(4-chloro-5-methyl-3-nitropyrazol-1-yl)butanoic acid.
Chemical Property Profile of 4-(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)butanoic acid
Property Insights of 4-(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)butanoic acid
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)butanoic acid. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)butanoic acid. Following Lipinski's Rule of Five, 4-(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)butanoic acid 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 4-(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)butanoic acid?
The CAS number of 4-(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)butanoic acid is 696646-61-4.
What is the molecular formula of 4-(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)butanoic acid?
The molecular formula of 4-(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)butanoic acid is C8H10ClN3O4.
What is the molecular weight of 4-(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)butanoic acid?
The molecular weight of 4-(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)butanoic acid is 247.04 g/mol.
Where can I buy 4-(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)butanoic acid?
You can request a quote for 4-(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)butanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)butanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)butanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.