RefChem:565474
TL;DR: RefChem:565474 (CAS 68227-57-6) is a chemical compound with molecular formula C19H18N4O3 and molecular weight 350.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[1-(2-ethylphenyl)-3-methyl-5-oxo-4H-pyrazol-4-yl]diazenyl]benzoic acid
Also Known As: 2-((1-(2-Ethylphenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl)azo)benzoic acid, 2-{(e)-[1-(2-ethylphenyl)-3-methyl-5-oxo-4,5-dihydro-1h-pyrazol-4-yl]diazenyl}benzoic acid, 2-[[1-(2-ethylphenyl)-3-methyl-5-oxo-4H-pyrazol-4-yl]diazenyl]benzoic acid, 2-[[1-(2-ethylphenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]azo]benzoic acid, Benzoic acid, 2-((1-(2-ethylphenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl)azo)-
| Molecular Formula | C19H18N4O3 |
|---|---|
| Molecular Weight | 350.14 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 94.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 350.13788 |
| Heavy Atoms | 26 |
| Complexity | 604.0 |
Chemical Identifiers
| CAS Number | 68227-57-6 |
|---|---|
| SMILES | CCC1=CC=CC=C1N2C(=O)C(C(=N2)C)N=NC3=CC=CC=C3C(=O)O |
| InChIKey | BVQXMAJFIDNCPG-UHFFFAOYSA-N |
Product Overview
RefChem:565474 (CAS 68227-57-6), with molecular formula C19H18N4O3 and molecular weight 350.14 g/mol. IUPAC: 2-[[1-(2-ethylphenyl)-3-methyl-5-oxo-4H-pyrazol-4-yl]diazenyl]benzoic acid.
Chemical Property Profile of RefChem:565474
Property Insights of RefChem:565474
The XLogP value of 3.6 indicates that RefChem:565474 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.7 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:565474. Following Lipinski's Rule of Five, RefChem:565474 has 1 hydrogen bond donor(s) and 6 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 RefChem:565474?
The CAS number of RefChem:565474 is 68227-57-6.
What is the molecular formula of RefChem:565474?
The molecular formula of RefChem:565474 is C19H18N4O3.
What is the molecular weight of RefChem:565474?
The molecular weight of RefChem:565474 is 350.14 g/mol.
Where can I buy RefChem:565474?
You can request a quote for RefChem:565474 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:565474?
Yes, KEHONG BIO provides custom synthesis services for RefChem:565474 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.