(4-chloro-3-nitro-1H-pyrazol-1-yl)acetic acid
TL;DR: (4-chloro-3-nitro-1H-pyrazol-1-yl)acetic acid (CAS 910561-03-4) is a chemical compound with molecular formula C5H4ClN3O4 and molecular weight 204.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-chloro-3-nitropyrazol-1-yl)acetic acid
Also Known As: (4-chloro-3-nitro-1H-pyrazol-1-yl)acetic acid, 2-(4-chloro-3-nitro-1H-pyrazol-1-yl)acetic acid, 2-(4-chloro-3-nitropyrazol-1-yl)acetic acid, BAS 08301920, Guanidine,N-hydroxy-N'-(2-methylphenyl)
| Molecular Formula | C5H4ClN3O4 |
|---|---|
| Molecular Weight | 204.99 g/mol |
| LogP | 0.5293 |
| Topological Polar Surface Area | 98.26 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 204.98903 |
| Heavy Atoms | 13 |
| Complexity | 360.6615 |
Chemical Identifiers
| CAS Number | 910561-03-4 |
|---|---|
| SMILES | C1=C(C(=NN1CC(=O)O)[N+](=O)[O-])Cl |
Product Overview
(4-chloro-3-nitro-1H-pyrazol-1-yl)acetic acid (CAS 910561-03-4), with molecular formula C5H4ClN3O4 and molecular weight 204.99 g/mol. IUPAC: 2-(4-chloro-3-nitropyrazol-1-yl)acetic acid.
Chemical Property Profile of (4-chloro-3-nitro-1H-pyrazol-1-yl)acetic acid
Property Insights of (4-chloro-3-nitro-1H-pyrazol-1-yl)acetic acid
The XLogP value of 0.5293 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (4-chloro-3-nitro-1H-pyrazol-1-yl)acetic acid. The TPSA of 98.26 Ų falls within the moderate polarity range, balancing permeability and solubility for (4-chloro-3-nitro-1H-pyrazol-1-yl)acetic acid. Following Lipinski's Rule of Five, (4-chloro-3-nitro-1H-pyrazol-1-yl)acetic acid has 1 hydrogen bond donor(s) and 4 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-chloro-3-nitro-1H-pyrazol-1-yl)acetic acid?
The CAS number of (4-chloro-3-nitro-1H-pyrazol-1-yl)acetic acid is 910561-03-4.
What is the molecular formula of (4-chloro-3-nitro-1H-pyrazol-1-yl)acetic acid?
The molecular formula of (4-chloro-3-nitro-1H-pyrazol-1-yl)acetic acid is C5H4ClN3O4.
What is the molecular weight of (4-chloro-3-nitro-1H-pyrazol-1-yl)acetic acid?
The molecular weight of (4-chloro-3-nitro-1H-pyrazol-1-yl)acetic acid is 204.99 g/mol.
Where can I buy (4-chloro-3-nitro-1H-pyrazol-1-yl)acetic acid?
You can request a quote for (4-chloro-3-nitro-1H-pyrazol-1-yl)acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-chloro-3-nitro-1H-pyrazol-1-yl)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for (4-chloro-3-nitro-1H-pyrazol-1-yl)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.