![(6E)-4-chloro-6-[[[2-(5-chloronaphthalen-1-yl)-1,3-benzoxazol-5-yl]amino]methylidene]-2-nitrocyclohexa-2,4-dien-1-one structure](/static/products/446/446246-31-7.png)
(6E)-4-chloro-6-[[[2-(5-chloronaphthalen-1-yl)-1,3-benzoxazol-5-yl]amino]methylidene]-2-nitrocyclohexa-2,4-dien-1-one
TL;DR: (6E)-4-chloro-6-[[[2-(5-chloronaphthalen-1-yl)-1,3-benzoxazol-5-yl]amino]methylidene]-2-nitrocyclohexa-2,4-dien-1-one (CAS 446246-31-7) is a chemical compound with molecular formula C24H13Cl2N3O4 and molecular weight 477.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-2-[[2-(5-chloronaphthalen-1-yl)-1,3-benzoxazol-5-yl]iminomethyl]-6-nitrophenol
Also Known As: (6E)-4-chloro-6-[[[2-(5-chloronaphthalen-1-yl)-1,3-benzoxazol-5-yl]amino]methylidene]-2-nitrocyclohexa-2,4-dien-1-one, (E)-4-chloro-2-(((2-(5-chloronaphthalen-1-yl)benzo[d]oxazol-5-yl)imino)methyl)-6-nitrophenol, 4-chloro-2-[(E)-{[2-(5-chloronaphthalen-1-yl)-1,3-benzoxazol-5-yl]imino}methyl]-6-nitrophenol, 4-chloro-6-[[[2-(5-chloronaphthalen-1-yl)-1,3-benzoxazol-5-yl]amino]methylidene]-2-nitrocyclohexa-2,4-dien-1-one
| Molecular Formula | C24H13Cl2N3O4 |
|---|---|
| Molecular Weight | 477.03 g/mol |
| LogP | 7.3192 |
| Topological Polar Surface Area | 101.76 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 477.02832 |
| Heavy Atoms | 33 |
| Complexity | 1594.3137 |
Chemical Identifiers
| CAS Number | 446246-31-7 |
|---|---|
| SMILES | C1=CC2=C(C=CC=C2Cl)C(=C1)C3=NC4=C(O3)C=CC(=C4)N=CC5=C(C(=CC(=C5)Cl)[N+](=O)[O-])O |
Product Overview
(6E)-4-chloro-6-[[[2-(5-chloronaphthalen-1-yl)-1,3-benzoxazol-5-yl]amino]methylidene]-2-nitrocyclohexa-2,4-dien-1-one (CAS 446246-31-7), with molecular formula C24H13Cl2N3O4 and molecular weight 477.03 g/mol. IUPAC: 4-chloro-2-[[2-(5-chloronaphthalen-1-yl)-1,3-benzoxazol-5-yl]iminomethyl]-6-nitrophenol.
Chemical Property Profile of (6E)-4-chloro-6-[[[2-(5-chloronaphthalen-1-yl)-1,3-benzoxazol-5-yl]amino]methylidene]-2-nitrocyclohexa-2,4-dien-1-one
Property Insights of (6E)-4-chloro-6-[[[2-(5-chloronaphthalen-1-yl)-1,3-benzoxazol-5-yl]amino]methylidene]-2-nitrocyclohexa-2,4-dien-1-one
The XLogP value of 7.3192 indicates that (6E)-4-chloro-6-[[[2-(5-chloronaphthalen-1-yl)-1,3-benzoxazol-5-yl]amino]methylidene]-2-nitrocyclohexa-2,4-dien-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.76 Ų falls within the moderate polarity range, balancing permeability and solubility for (6E)-4-chloro-6-[[[2-(5-chloronaphthalen-1-yl)-1,3-benzoxazol-5-yl]amino]methylidene]-2-nitrocyclohexa-2,4-dien-1-one. Following Lipinski's Rule of Five, (6E)-4-chloro-6-[[[2-(5-chloronaphthalen-1-yl)-1,3-benzoxazol-5-yl]amino]methylidene]-2-nitrocyclohexa-2,4-dien-1-one has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (6E)-4-chloro-6-[[[2-(5-chloronaphthalen-1-yl)-1,3-benzoxazol-5-yl]amino]methylidene]-2-nitrocyclohexa-2,4-dien-1-one?
The CAS number of (6E)-4-chloro-6-[[[2-(5-chloronaphthalen-1-yl)-1,3-benzoxazol-5-yl]amino]methylidene]-2-nitrocyclohexa-2,4-dien-1-one is 446246-31-7.
What is the molecular formula of (6E)-4-chloro-6-[[[2-(5-chloronaphthalen-1-yl)-1,3-benzoxazol-5-yl]amino]methylidene]-2-nitrocyclohexa-2,4-dien-1-one?
The molecular formula of (6E)-4-chloro-6-[[[2-(5-chloronaphthalen-1-yl)-1,3-benzoxazol-5-yl]amino]methylidene]-2-nitrocyclohexa-2,4-dien-1-one is C24H13Cl2N3O4.
What is the molecular weight of (6E)-4-chloro-6-[[[2-(5-chloronaphthalen-1-yl)-1,3-benzoxazol-5-yl]amino]methylidene]-2-nitrocyclohexa-2,4-dien-1-one?
The molecular weight of (6E)-4-chloro-6-[[[2-(5-chloronaphthalen-1-yl)-1,3-benzoxazol-5-yl]amino]methylidene]-2-nitrocyclohexa-2,4-dien-1-one is 477.03 g/mol.
Where can I buy (6E)-4-chloro-6-[[[2-(5-chloronaphthalen-1-yl)-1,3-benzoxazol-5-yl]amino]methylidene]-2-nitrocyclohexa-2,4-dien-1-one?
You can request a quote for (6E)-4-chloro-6-[[[2-(5-chloronaphthalen-1-yl)-1,3-benzoxazol-5-yl]amino]methylidene]-2-nitrocyclohexa-2,4-dien-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (6E)-4-chloro-6-[[[2-(5-chloronaphthalen-1-yl)-1,3-benzoxazol-5-yl]amino]methylidene]-2-nitrocyclohexa-2,4-dien-1-one?
Yes, KEHONG BIO provides custom synthesis services for (6E)-4-chloro-6-[[[2-(5-chloronaphthalen-1-yl)-1,3-benzoxazol-5-yl]amino]methylidene]-2-nitrocyclohexa-2,4-dien-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.