RefChem:138108
TL;DR: RefChem:138108 (CAS 68911-99-9) is a chemical compound with molecular formula C29H37ClIN3 and molecular weight 589.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[[2-chloro-4-(dimethylamino)phenyl]-[4-(diethylamino)phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]-diethylazanium iodide
Also Known As: Ethanaminium, N-(4-((2-chloro-4-(dimethylamino)phenyl)(4-(diethylamino)phenyl)methylene)-2,5-cyclohexadien-1-ylidene)-N-ethyl-, iodide, Ethanaminium, N-(4-((2-chloro-4-(dimethylamino)phenyl)(4-(diethylamino)phenyl)methylene)-2,5-cyclohexadien-1-ylidene)-N-ethyl-, iodide (1:1), Ethanaminium, N-[4-[[2-chloro-4-(dimethylamino)phenyl][4-(diethylamino)phenyl]methylene]-2,5-cyclohexadien-1-ylidene]-N-ethyl-, iodide, Ethanaminium, N-[4-[[2-chloro-4-(dimethylamino)phenyl][4-(diethylamino)phenyl]methylene]-2,5-cyclohexadien-1-ylidene]-N-ethyl-, iodide (1:1), n-(4-{[2-chloro-4-(dimethylamino)phenyl][4-(diethylamino)phenyl]methylene}cyclohexa-2,5-dien-1-ylidene)-n-ethylethanaminium iodide
| Molecular Formula | C29H37ClIN3 |
|---|---|
| Molecular Weight | 589.17 g/mol |
| LogP | 3.68 |
| Topological Polar Surface Area | 9.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 589.17206 |
| Heavy Atoms | 34 |
| Complexity | 684.0 |
Chemical Identifiers
| CAS Number | 68911-99-9 |
|---|---|
| SMILES | CCN(CC)C1=CC=C(C=C1)C(=C2C=CC(=[N+](CC)CC)C=C2)C3=C(C=C(C=C3)N(C)C)Cl.[I-] |
| InChIKey | QTRZAQYNXUXERX-UHFFFAOYSA-M |
Product Overview
RefChem:138108 (CAS 68911-99-9), with molecular formula C29H37ClIN3 and molecular weight 589.17 g/mol. IUPAC: [4-[[2-chloro-4-(dimethylamino)phenyl]-[4-(diethylamino)phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]-diethylazanium iodide.
Chemical Property Profile of RefChem:138108
Property Insights of RefChem:138108
The XLogP value of 3.68 indicates that RefChem:138108 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 9.5 Ų, RefChem:138108 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:138108 has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:138108?
The CAS number of RefChem:138108 is 68911-99-9.
What is the molecular formula of RefChem:138108?
The molecular formula of RefChem:138108 is C29H37ClIN3.
What is the molecular weight of RefChem:138108?
The molecular weight of RefChem:138108 is 589.17 g/mol.
Where can I buy RefChem:138108?
You can request a quote for RefChem:138108 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:138108?
Yes, KEHONG BIO provides custom synthesis services for RefChem:138108 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.