(E)-6-(((5-amino-1-phenyl-1H-pyrazole-4-carbonyl)imino)methyl)-2,3-dimethoxybenzoic acid
TL;DR: (E)-6-(((5-amino-1-phenyl-1H-pyrazole-4-carbonyl)imino)methyl)-2,3-dimethoxybenzoic acid (CAS 944779-13-9) is a chemical compound with molecular formula C20H18N4O5 and molecular weight 394.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[(5-amino-1-phenylpyrazole-4-carbonyl)iminomethyl]-2,3-dimethoxybenzoic acid
Also Known As: (E)-6-(((5-amino-1-phenyl-1H-pyrazole-4-carbonyl)imino)methyl)-2,3-dimethoxybenzoic acid, 6-[(5-amino-1-phenyl-pyrazole-4-carbonyl)iminomethyl]-2,3-dimethoxy-benzoic Acid, 6-[(5-amino-1-phenylpyrazole-4-carbonyl)iminomethyl]-2,3-dimethoxybenzoic acid, 6-[(E)-{[(5-amino-1-phenyl-1H-pyrazol-4-yl)carbonyl]imino}methyl]-2,3-dimethoxybenzoic acid
| Molecular Formula | C20H18N4O5 |
|---|---|
| Molecular Weight | 394.13 g/mol |
| LogP | 2.4292 |
| Topological Polar Surface Area | 129.03 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 394.12772 |
| Heavy Atoms | 29 |
| Complexity | 1089.7511 |
Chemical Identifiers
| CAS Number | 944779-13-9 |
|---|---|
| SMILES | COC1=C(C(=C(C=C1)C=NC(=O)C2=C(N(N=C2)C3=CC=CC=C3)N)C(=O)O)OC |
Product Overview
(E)-6-(((5-amino-1-phenyl-1H-pyrazole-4-carbonyl)imino)methyl)-2,3-dimethoxybenzoic acid (CAS 944779-13-9), with molecular formula C20H18N4O5 and molecular weight 394.13 g/mol. IUPAC: 6-[(5-amino-1-phenylpyrazole-4-carbonyl)iminomethyl]-2,3-dimethoxybenzoic acid.
Chemical Property Profile of (E)-6-(((5-amino-1-phenyl-1H-pyrazole-4-carbonyl)imino)methyl)-2,3-dimethoxybenzoic acid
Property Insights of (E)-6-(((5-amino-1-phenyl-1H-pyrazole-4-carbonyl)imino)methyl)-2,3-dimethoxybenzoic acid
The XLogP value of 2.4292 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-6-(((5-amino-1-phenyl-1H-pyrazole-4-carbonyl)imino)methyl)-2,3-dimethoxybenzoic acid. The TPSA of 129.03 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-6-(((5-amino-1-phenyl-1H-pyrazole-4-carbonyl)imino)methyl)-2,3-dimethoxybenzoic acid. Following Lipinski's Rule of Five, (E)-6-(((5-amino-1-phenyl-1H-pyrazole-4-carbonyl)imino)methyl)-2,3-dimethoxybenzoic acid has 2 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 (E)-6-(((5-amino-1-phenyl-1H-pyrazole-4-carbonyl)imino)methyl)-2,3-dimethoxybenzoic acid?
The CAS number of (E)-6-(((5-amino-1-phenyl-1H-pyrazole-4-carbonyl)imino)methyl)-2,3-dimethoxybenzoic acid is 944779-13-9.
What is the molecular formula of (E)-6-(((5-amino-1-phenyl-1H-pyrazole-4-carbonyl)imino)methyl)-2,3-dimethoxybenzoic acid?
The molecular formula of (E)-6-(((5-amino-1-phenyl-1H-pyrazole-4-carbonyl)imino)methyl)-2,3-dimethoxybenzoic acid is C20H18N4O5.
What is the molecular weight of (E)-6-(((5-amino-1-phenyl-1H-pyrazole-4-carbonyl)imino)methyl)-2,3-dimethoxybenzoic acid?
The molecular weight of (E)-6-(((5-amino-1-phenyl-1H-pyrazole-4-carbonyl)imino)methyl)-2,3-dimethoxybenzoic acid is 394.13 g/mol.
Where can I buy (E)-6-(((5-amino-1-phenyl-1H-pyrazole-4-carbonyl)imino)methyl)-2,3-dimethoxybenzoic acid?
You can request a quote for (E)-6-(((5-amino-1-phenyl-1H-pyrazole-4-carbonyl)imino)methyl)-2,3-dimethoxybenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-6-(((5-amino-1-phenyl-1H-pyrazole-4-carbonyl)imino)methyl)-2,3-dimethoxybenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for (E)-6-(((5-amino-1-phenyl-1H-pyrazole-4-carbonyl)imino)methyl)-2,3-dimethoxybenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.