A1469/0064764
TL;DR: A1469/0064764 (CAS 446053-49-2) is a chemical compound with molecular formula C28H17N3O8 and molecular weight 523.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[3-[5-(3-nitrophenoxy)-1,3-dioxoisoindol-2-yl]benzoyl]amino]benzoic acid
Also Known As: A1469/0064764, 2-[[3-[5-(3-nitrophenoxy)-1,3-dioxoisoindol-2-yl]benzoyl]amino]benzoic acid, 2-{3-[5-(3-Nitrophenoxy)-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl]benzamido}benzoic acid, 2-[({3-[5-(3-nitrophenoxy)-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl]phenyl}carbonyl)amino]benzoic acid, 2-[[3-[1,3-Dihydro-5-(3-nitrophenoxy)-1,3-dioxo-2H-isoindol-2-yl]benzoyl]amino]benzoic acid
| Molecular Formula | C28H17N3O8 |
|---|---|
| Molecular Weight | 523.10 g/mol |
| LogP | 5.1382 |
| Topological Polar Surface Area | 156.15 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 523.10156 |
| Heavy Atoms | 39 |
| Complexity | 1697.9813 |
Chemical Identifiers
| CAS Number | 446053-49-2 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=O)O)NC(=O)C2=CC(=CC=C2)N3C(=O)C4=C(C3=O)C=C(C=C4)OC5=CC=CC(=C5)[N+](=O)[O-] |
Product Overview
A1469/0064764 (CAS 446053-49-2), with molecular formula C28H17N3O8 and molecular weight 523.10 g/mol. IUPAC: 2-[[3-[5-(3-nitrophenoxy)-1,3-dioxoisoindol-2-yl]benzoyl]amino]benzoic acid.
Chemical Property Profile of A1469/0064764
Property Insights of A1469/0064764
The XLogP value of 5.1382 indicates that A1469/0064764 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 156.15 Ų indicates high polarity, suggesting A1469/0064764 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, A1469/0064764 has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of A1469/0064764?
The CAS number of A1469/0064764 is 446053-49-2.
What is the molecular formula of A1469/0064764?
The molecular formula of A1469/0064764 is C28H17N3O8.
What is the molecular weight of A1469/0064764?
The molecular weight of A1469/0064764 is 523.10 g/mol.
Where can I buy A1469/0064764?
You can request a quote for A1469/0064764 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A1469/0064764?
Yes, KEHONG BIO provides custom synthesis services for A1469/0064764 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.