EINECS 254-720-7
TL;DR: EINECS 254-720-7 (CAS 39959-37-0) is a chemical compound with molecular formula C25H27ClN2O2 and molecular weight 422.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[(2-chlorophenyl)-[4-(dimethylamino)phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium acetate
Also Known As: EINECS 254-720-7, (4-((2-Chlorophenyl)(4-(dimethylamino)phenyl)methylene)cyclohexa-2,5-dien-1-ylidene)dimethylammonium acetate, Methanaminium, N-(4-((2-chlorophenyl)(4-(dimethylamino)phenyl)methylene)-2,5-cyclohexadien-1-ylidene)-N-methyl-, acetate, Methanaminium, N-[4-[(2-chlorophenyl)[4-(dimethylamino)phenyl]methylene]-2,5-cyclohexadien-1-ylidene]-N-methyl-, acetate, [4-[(2-chlorophenyl)-(4-dimethylaminophenyl)methylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium acetate
| Molecular Formula | C25H27ClN2O2 |
|---|---|
| Molecular Weight | 422.18 g/mol |
| LogP | 3.8032 |
| Topological Polar Surface Area | 46.38 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 422.17612 |
| Heavy Atoms | 30 |
| Complexity | 1003.3691 |
Chemical Identifiers
| CAS Number | 39959-37-0 |
|---|---|
| SMILES | CC(=O)[O-].CN(C)C1=CC=C(C=C1)C(=C2C=CC(=[N+](C)C)C=C2)C3=CC=CC=C3Cl |
Product Overview
EINECS 254-720-7 (CAS 39959-37-0), with molecular formula C25H27ClN2O2 and molecular weight 422.18 g/mol. IUPAC: [4-[(2-chlorophenyl)-[4-(dimethylamino)phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium acetate.
Chemical Property Profile of EINECS 254-720-7
Property Insights of EINECS 254-720-7
The XLogP value of 3.8032 indicates that EINECS 254-720-7 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.38 Ų, EINECS 254-720-7 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, EINECS 254-720-7 has 0 hydrogen bond donor(s) and 3 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 EINECS 254-720-7?
The CAS number of EINECS 254-720-7 is 39959-37-0.
What is the molecular formula of EINECS 254-720-7?
The molecular formula of EINECS 254-720-7 is C25H27ClN2O2.
What is the molecular weight of EINECS 254-720-7?
The molecular weight of EINECS 254-720-7 is 422.18 g/mol.
Where can I buy EINECS 254-720-7?
You can request a quote for EINECS 254-720-7 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 254-720-7?
Yes, KEHONG BIO provides custom synthesis services for EINECS 254-720-7 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.