RefChem:138111
TL;DR: RefChem:138111 (CAS 68391-24-2) is a chemical compound with molecular formula C27H32Cl2N2 and molecular weight 454.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[(2-chlorophenyl)-[4-(diethylamino)phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]-diethylazanium chloride
Also Known As: Isosulfan Blue Impurity 3, 2-ethylhexan-1-aminium acetate, Ethanaminium, N-(4-((2-chlorophenyl)(4-(diethylamino)phenyl)methylene)-2,5-cyclohexadien-1-ylidene)-N-ethyl-, chloride, Ethanaminium, N-(4-((2-chlorophenyl)(4-(diethylamino)phenyl)methylene)-2,5-cyclohexadien-1-ylidene)-N-ethyl-, chloride (1:1), Ethanaminium, N-[4-[(2-chlorophenyl)[4-(diethylamino)phenyl]methylene]-2,5-cyclohexadien-1-ylidene]-N-ethyl-, chloride (1:1)
| Molecular Formula | C27H32Cl2N2 |
|---|---|
| Molecular Weight | 454.19 g/mol |
| LogP | 3.61 |
| Topological Polar Surface Area | 6.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 454.19424 |
| Heavy Atoms | 31 |
| Complexity | 608.0 |
Chemical Identifiers
| CAS Number | 68391-24-2 |
|---|---|
| SMILES | CCN(CC)C1=CC=C(C=C1)C(=C2C=CC(=[N+](CC)CC)C=C2)C3=CC=CC=C3Cl.[Cl-] |
| InChIKey | BYEFPVHXDRKQAC-UHFFFAOYSA-M |
Product Overview
RefChem:138111 (CAS 68391-24-2), with molecular formula C27H32Cl2N2 and molecular weight 454.19 g/mol. IUPAC: [4-[(2-chlorophenyl)-[4-(diethylamino)phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]-diethylazanium chloride.
Chemical Property Profile of RefChem:138111
Property Insights of RefChem:138111
The XLogP value of 3.61 indicates that RefChem:138111 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 6.3 Ų, RefChem:138111 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:138111 has 0 hydrogen bond donor(s) and 2 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 RefChem:138111?
The CAS number of RefChem:138111 is 68391-24-2.
What is the molecular formula of RefChem:138111?
The molecular formula of RefChem:138111 is C27H32Cl2N2.
What is the molecular weight of RefChem:138111?
The molecular weight of RefChem:138111 is 454.19 g/mol.
Where can I buy RefChem:138111?
You can request a quote for RefChem:138111 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:138111?
Yes, KEHONG BIO provides custom synthesis services for RefChem:138111 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.