![6-[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)iminomethyl]-2,3-dimethoxy-benzoic Acid structure](/static/products/685/68557-05-1.png)
6-[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)iminomethyl]-2,3-dimethoxy-benzoic Acid
TL;DR: 6-[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)iminomethyl]-2,3-dimethoxy-benzoic Acid (CAS 68557-05-1) is a chemical compound with molecular formula C21H21N3O5 and molecular weight 395.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)iminomethyl]-2,3-dimethoxybenzoic acid
Also Known As: 6-[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)iminomethyl]-2,3-dimethoxy-benzoic Acid, 6-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)iminomethyl]-2,3-dimethoxybenzoic acid, (E)-6-(((1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)imino)methyl)-2,3-dimethoxybenzoic acid, 6-{(E)-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)imino]methyl}-2,3-dimethoxybenzoic acid
| Molecular Formula | C21H21N3O5 |
|---|---|
| Molecular Weight | 395.15 g/mol |
| LogP | 2.95042 |
| Topological Polar Surface Area | 95.05 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 395.14813 |
| Heavy Atoms | 29 |
| Complexity | 1143.3586 |
Chemical Identifiers
| CAS Number | 68557-05-1 |
|---|---|
| SMILES | CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N=CC3=C(C(=C(C=C3)OC)OC)C(=O)O |
Product Overview
6-[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)iminomethyl]-2,3-dimethoxy-benzoic Acid (CAS 68557-05-1), with molecular formula C21H21N3O5 and molecular weight 395.15 g/mol. IUPAC: 6-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)iminomethyl]-2,3-dimethoxybenzoic acid.
Chemical Property Profile of 6-[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)iminomethyl]-2,3-dimethoxy-benzoic Acid
Property Insights of 6-[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)iminomethyl]-2,3-dimethoxy-benzoic Acid
The XLogP value of 2.95042 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)iminomethyl]-2,3-dimethoxy-benzoic Acid. The TPSA of 95.05 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)iminomethyl]-2,3-dimethoxy-benzoic Acid. Following Lipinski's Rule of Five, 6-[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)iminomethyl]-2,3-dimethoxy-benzoic 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 6-[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)iminomethyl]-2,3-dimethoxy-benzoic Acid?
The CAS number of 6-[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)iminomethyl]-2,3-dimethoxy-benzoic Acid is 68557-05-1.
What is the molecular formula of 6-[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)iminomethyl]-2,3-dimethoxy-benzoic Acid?
The molecular formula of 6-[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)iminomethyl]-2,3-dimethoxy-benzoic Acid is C21H21N3O5.
What is the molecular weight of 6-[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)iminomethyl]-2,3-dimethoxy-benzoic Acid?
The molecular weight of 6-[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)iminomethyl]-2,3-dimethoxy-benzoic Acid is 395.15 g/mol.
Where can I buy 6-[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)iminomethyl]-2,3-dimethoxy-benzoic Acid?
You can request a quote for 6-[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)iminomethyl]-2,3-dimethoxy-benzoic Acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)iminomethyl]-2,3-dimethoxy-benzoic Acid?
Yes, KEHONG BIO provides custom synthesis services for 6-[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)iminomethyl]-2,3-dimethoxy-benzoic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.