![3-[[4-(4-tert-butylphenoxy)-3-nitrophenyl]methylidene]-5-chloro-1H-indol-2-one structure](/static/products/6610/6610-67-9.webp)
3-[[4-(4-tert-butylphenoxy)-3-nitrophenyl]methylidene]-5-chloro-1H-indol-2-one
TL;DR: 3-[[4-(4-tert-butylphenoxy)-3-nitrophenyl]methylidene]-5-chloro-1H-indol-2-one (CAS 6610-67-9) is a chemical compound with molecular formula C25H21ClN2O4 and molecular weight 448.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[4-(4-tert-butylphenoxy)-3-nitrophenyl]methylidene]-5-chloro-1H-indol-2-one
Also Known As: 3-[[4-(4-tert-butylphenoxy)-3-nitrophenyl]methylidene]-5-chloro-1H-indol-2-one, 5-chloro-3-[[3-nitro-4-(4-tert-butylphenoxy)phenyl]methylidene]-1H-indol-2-one, 3-{[4-(4-tert-Butylphenoxy)-3-nitrophenyl]methylidene}-5-chloro-1,3-dihydro-2H-indol-2-one
| Molecular Formula | C25H21ClN2O4 |
|---|---|
| Molecular Weight | 448.12 g/mol |
| LogP | 6.8307 |
| Topological Polar Surface Area | 81.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 448.119 |
| Heavy Atoms | 32 |
| Complexity | 1257.9238 |
Chemical Identifiers
| CAS Number | 6610-67-9 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)OC2=C(C=C(C=C2)C=C3C4=C(C=CC(=C4)Cl)NC3=O)[N+](=O)[O-] |
Product Overview
3-[[4-(4-tert-butylphenoxy)-3-nitrophenyl]methylidene]-5-chloro-1H-indol-2-one (CAS 6610-67-9), with molecular formula C25H21ClN2O4 and molecular weight 448.12 g/mol. IUPAC: 3-[[4-(4-tert-butylphenoxy)-3-nitrophenyl]methylidene]-5-chloro-1H-indol-2-one.
Chemical Property Profile of 3-[[4-(4-tert-butylphenoxy)-3-nitrophenyl]methylidene]-5-chloro-1H-indol-2-one
Property Insights of 3-[[4-(4-tert-butylphenoxy)-3-nitrophenyl]methylidene]-5-chloro-1H-indol-2-one
The XLogP value of 6.8307 indicates that 3-[[4-(4-tert-butylphenoxy)-3-nitrophenyl]methylidene]-5-chloro-1H-indol-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.47 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[[4-(4-tert-butylphenoxy)-3-nitrophenyl]methylidene]-5-chloro-1H-indol-2-one. Following Lipinski's Rule of Five, 3-[[4-(4-tert-butylphenoxy)-3-nitrophenyl]methylidene]-5-chloro-1H-indol-2-one has 1 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 3-[[4-(4-tert-butylphenoxy)-3-nitrophenyl]methylidene]-5-chloro-1H-indol-2-one?
The CAS number of 3-[[4-(4-tert-butylphenoxy)-3-nitrophenyl]methylidene]-5-chloro-1H-indol-2-one is 6610-67-9.
What is the molecular formula of 3-[[4-(4-tert-butylphenoxy)-3-nitrophenyl]methylidene]-5-chloro-1H-indol-2-one?
The molecular formula of 3-[[4-(4-tert-butylphenoxy)-3-nitrophenyl]methylidene]-5-chloro-1H-indol-2-one is C25H21ClN2O4.
What is the molecular weight of 3-[[4-(4-tert-butylphenoxy)-3-nitrophenyl]methylidene]-5-chloro-1H-indol-2-one?
The molecular weight of 3-[[4-(4-tert-butylphenoxy)-3-nitrophenyl]methylidene]-5-chloro-1H-indol-2-one is 448.12 g/mol.
Where can I buy 3-[[4-(4-tert-butylphenoxy)-3-nitrophenyl]methylidene]-5-chloro-1H-indol-2-one?
You can request a quote for 3-[[4-(4-tert-butylphenoxy)-3-nitrophenyl]methylidene]-5-chloro-1H-indol-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[[4-(4-tert-butylphenoxy)-3-nitrophenyl]methylidene]-5-chloro-1H-indol-2-one?
Yes, KEHONG BIO provides custom synthesis services for 3-[[4-(4-tert-butylphenoxy)-3-nitrophenyl]methylidene]-5-chloro-1H-indol-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.