2-(4H-1,3-benzodioxin-6-yliminomethyl)-4,6-dichlorophenol
TL;DR: 2-(4H-1,3-benzodioxin-6-yliminomethyl)-4,6-dichlorophenol (CAS 652129-89-0) is a chemical compound with molecular formula C15H11Cl2NO3 and molecular weight 323.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4H-1,3-benzodioxin-6-yliminomethyl)-4,6-dichlorophenol
Also Known As: Maybridge1_000841, (6E)-6-[(4H-1,3-benzodioxin-6-ylamino)methylidene]-2,4-dichlorocyclohexa-2,4-dien-1-one, (6Z)-6-[(4H-1,3-benzodioxin-6-ylamino)methylidene]-2,4-dichlorocyclohexa-2,4-dien-1-one, 6-[(4H-1,3-benzodioxin-6-ylamino)methylidene]-2,4-dichlorocyclohexa-2,4-dien-1-one
| Molecular Formula | C15H11Cl2NO3 |
|---|---|
| Molecular Weight | 323.01 g/mol |
| LogP | 4.3161 |
| Topological Polar Surface Area | 51.05 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 323.0116 |
| Heavy Atoms | 21 |
| Complexity | 716.3052 |
Chemical Identifiers
| CAS Number | 652129-89-0 |
|---|---|
| SMILES | C1C2=C(C=CC(=C2)N=CC3=C(C(=CC(=C3)Cl)Cl)O)OCO1 |
Product Overview
2-(4H-1,3-benzodioxin-6-yliminomethyl)-4,6-dichlorophenol (CAS 652129-89-0), with molecular formula C15H11Cl2NO3 and molecular weight 323.01 g/mol. IUPAC: 2-(4H-1,3-benzodioxin-6-yliminomethyl)-4,6-dichlorophenol.
Chemical Property Profile of 2-(4H-1,3-benzodioxin-6-yliminomethyl)-4,6-dichlorophenol
Property Insights of 2-(4H-1,3-benzodioxin-6-yliminomethyl)-4,6-dichlorophenol
The XLogP value of 4.3161 indicates that 2-(4H-1,3-benzodioxin-6-yliminomethyl)-4,6-dichlorophenol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.05 Ų, 2-(4H-1,3-benzodioxin-6-yliminomethyl)-4,6-dichlorophenol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4H-1,3-benzodioxin-6-yliminomethyl)-4,6-dichlorophenol has 1 hydrogen bond donor(s) and 4 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 2-(4H-1,3-benzodioxin-6-yliminomethyl)-4,6-dichlorophenol?
The CAS number of 2-(4H-1,3-benzodioxin-6-yliminomethyl)-4,6-dichlorophenol is 652129-89-0.
What is the molecular formula of 2-(4H-1,3-benzodioxin-6-yliminomethyl)-4,6-dichlorophenol?
The molecular formula of 2-(4H-1,3-benzodioxin-6-yliminomethyl)-4,6-dichlorophenol is C15H11Cl2NO3.
What is the molecular weight of 2-(4H-1,3-benzodioxin-6-yliminomethyl)-4,6-dichlorophenol?
The molecular weight of 2-(4H-1,3-benzodioxin-6-yliminomethyl)-4,6-dichlorophenol is 323.01 g/mol.
Where can I buy 2-(4H-1,3-benzodioxin-6-yliminomethyl)-4,6-dichlorophenol?
You can request a quote for 2-(4H-1,3-benzodioxin-6-yliminomethyl)-4,6-dichlorophenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4H-1,3-benzodioxin-6-yliminomethyl)-4,6-dichlorophenol?
Yes, KEHONG BIO provides custom synthesis services for 2-(4H-1,3-benzodioxin-6-yliminomethyl)-4,6-dichlorophenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.