![4-chloro-2-{[2-(1,3-dimethyl-4-nitro-1H-pyrazol-5-yl)vinyl]amino}benzenol structure](/static/products/4361/436100-80-0.webp)
4-chloro-2-{[2-(1,3-dimethyl-4-nitro-1H-pyrazol-5-yl)vinyl]amino}benzenol
TL;DR: 4-chloro-2-{[2-(1,3-dimethyl-4-nitro-1H-pyrazol-5-yl)vinyl]amino}benzenol (CAS 436100-80-0) is a chemical compound with molecular formula C13H13ClN4O3 and molecular weight 308.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-2-[2-(1,3-dimethyl-4-nitropyrazol-5-yl)ethenylamino]phenol
Also Known As: 4-chloro-2-{[2-(1,3-dimethyl-4-nitro-1H-pyrazol-5-yl)vinyl]amino}benzenol, 4-chloro-2-[2-(2,5-dimethyl-4-nitropyrazol-3-yl)ethenylamino]phenol, 4-CHLORO-2-{[2-(2,5-DIMETHYL-4-NITROPYRAZOL-3-YL)ETHENYL]AMINO}PHENOL
| Molecular Formula | C13H13ClN4O3 |
|---|---|
| Molecular Weight | 308.07 g/mol |
| LogP | 3.07852 |
| Topological Polar Surface Area | 93.22 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 308.06763 |
| Heavy Atoms | 21 |
| Complexity | 724.4467 |
Chemical Identifiers
| CAS Number | 436100-80-0 |
|---|---|
| SMILES | CC1=NN(C(=C1[N+](=O)[O-])C=CNC2=C(C=CC(=C2)Cl)O)C |
Product Overview
4-chloro-2-{[2-(1,3-dimethyl-4-nitro-1H-pyrazol-5-yl)vinyl]amino}benzenol (CAS 436100-80-0), with molecular formula C13H13ClN4O3 and molecular weight 308.07 g/mol. IUPAC: 4-chloro-2-[2-(1,3-dimethyl-4-nitropyrazol-5-yl)ethenylamino]phenol.
Chemical Property Profile of 4-chloro-2-{[2-(1,3-dimethyl-4-nitro-1H-pyrazol-5-yl)vinyl]amino}benzenol
Property Insights of 4-chloro-2-{[2-(1,3-dimethyl-4-nitro-1H-pyrazol-5-yl)vinyl]amino}benzenol
The XLogP value of 3.07852 indicates that 4-chloro-2-{[2-(1,3-dimethyl-4-nitro-1H-pyrazol-5-yl)vinyl]amino}benzenol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.22 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-chloro-2-{[2-(1,3-dimethyl-4-nitro-1H-pyrazol-5-yl)vinyl]amino}benzenol. Following Lipinski's Rule of Five, 4-chloro-2-{[2-(1,3-dimethyl-4-nitro-1H-pyrazol-5-yl)vinyl]amino}benzenol has 2 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-chloro-2-{[2-(1,3-dimethyl-4-nitro-1H-pyrazol-5-yl)vinyl]amino}benzenol?
The CAS number of 4-chloro-2-{[2-(1,3-dimethyl-4-nitro-1H-pyrazol-5-yl)vinyl]amino}benzenol is 436100-80-0.
What is the molecular formula of 4-chloro-2-{[2-(1,3-dimethyl-4-nitro-1H-pyrazol-5-yl)vinyl]amino}benzenol?
The molecular formula of 4-chloro-2-{[2-(1,3-dimethyl-4-nitro-1H-pyrazol-5-yl)vinyl]amino}benzenol is C13H13ClN4O3.
What is the molecular weight of 4-chloro-2-{[2-(1,3-dimethyl-4-nitro-1H-pyrazol-5-yl)vinyl]amino}benzenol?
The molecular weight of 4-chloro-2-{[2-(1,3-dimethyl-4-nitro-1H-pyrazol-5-yl)vinyl]amino}benzenol is 308.07 g/mol.
Where can I buy 4-chloro-2-{[2-(1,3-dimethyl-4-nitro-1H-pyrazol-5-yl)vinyl]amino}benzenol?
You can request a quote for 4-chloro-2-{[2-(1,3-dimethyl-4-nitro-1H-pyrazol-5-yl)vinyl]amino}benzenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-chloro-2-{[2-(1,3-dimethyl-4-nitro-1H-pyrazol-5-yl)vinyl]amino}benzenol?
Yes, KEHONG BIO provides custom synthesis services for 4-chloro-2-{[2-(1,3-dimethyl-4-nitro-1H-pyrazol-5-yl)vinyl]amino}benzenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.