4-(4-Antipyrylaminocarbonyl)-2-oxoindoline-1-acetic acid
TL;DR: 4-(4-Antipyrylaminocarbonyl)-2-oxoindoline-1-acetic acid (CAS 100549-97-1) is a chemical compound with molecular formula C34H28N4O5 and molecular weight 572.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamoyl]-2-oxo-3,3-diphenylindol-1-yl]acetic acid
Also Known As: 4-(4-Antipyrylaminocarbonyl)-2-oxoindoline-1-acetic acid, 1H-Indol-1-acetic acid, 2,3-dihydro-3,3-diphenyl-2-oxo-4-(((2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)amino)carbonyl)-, 2-[4-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamoyl]-2-oxo-3,3-diphenylindol-1-yl]acetic acid, {4-[(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)carbamoyl]-2-oxo-3,3-diphenyl-2,3-dihydro-1H-indol-1-yl}acetic acid, 1H-Indol-1-acetic acid,2,3-dihydro-3,3-diphenyl-2-oxo-4-(((2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)amino)carbonyl)
| Molecular Formula | C34H28N4O5 |
|---|---|
| Molecular Weight | 572.21 g/mol |
| LogP | 4.50232 |
| Topological Polar Surface Area | 113.64 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 572.206 |
| Heavy Atoms | 43 |
| Complexity | 1889.1648 |
Chemical Identifiers
| CAS Number | 100549-97-1 |
|---|---|
| SMILES | CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C3=C4C(=CC=C3)N(C(=O)C4(C5=CC=CC=C5)C6=CC=CC=C6)CC(=O)O |
Product Overview
4-(4-Antipyrylaminocarbonyl)-2-oxoindoline-1-acetic acid (CAS 100549-97-1), with molecular formula C34H28N4O5 and molecular weight 572.21 g/mol. IUPAC: 2-[4-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamoyl]-2-oxo-3,3-diphenylindol-1-yl]acetic acid.
Chemical Property Profile of 4-(4-Antipyrylaminocarbonyl)-2-oxoindoline-1-acetic acid
Property Insights of 4-(4-Antipyrylaminocarbonyl)-2-oxoindoline-1-acetic acid
The XLogP value of 4.50232 indicates that 4-(4-Antipyrylaminocarbonyl)-2-oxoindoline-1-acetic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 113.64 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(4-Antipyrylaminocarbonyl)-2-oxoindoline-1-acetic acid. Following Lipinski's Rule of Five, 4-(4-Antipyrylaminocarbonyl)-2-oxoindoline-1-acetic acid has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-(4-Antipyrylaminocarbonyl)-2-oxoindoline-1-acetic acid?
The CAS number of 4-(4-Antipyrylaminocarbonyl)-2-oxoindoline-1-acetic acid is 100549-97-1.
What is the molecular formula of 4-(4-Antipyrylaminocarbonyl)-2-oxoindoline-1-acetic acid?
The molecular formula of 4-(4-Antipyrylaminocarbonyl)-2-oxoindoline-1-acetic acid is C34H28N4O5.
What is the molecular weight of 4-(4-Antipyrylaminocarbonyl)-2-oxoindoline-1-acetic acid?
The molecular weight of 4-(4-Antipyrylaminocarbonyl)-2-oxoindoline-1-acetic acid is 572.21 g/mol.
Where can I buy 4-(4-Antipyrylaminocarbonyl)-2-oxoindoline-1-acetic acid?
You can request a quote for 4-(4-Antipyrylaminocarbonyl)-2-oxoindoline-1-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-(4-Antipyrylaminocarbonyl)-2-oxoindoline-1-acetic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-Antipyrylaminocarbonyl)-2-oxoindoline-1-acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.