RefChem:118709
TL;DR: RefChem:118709 (CAS 63059-43-8) is a chemical compound with molecular formula C27H32ClIN4O2 and molecular weight 606.12585 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[3-[5-chloro-1-ethyl-3-(2-morpholin-4-ylethyl)benzimidazol-2-ylidene]prop-1-enyl]-3-ethyl-1,3-benzoxazol-3-ium iodide
Also Known As: Benzoxazolium, 2-(3-(5-chloro-1-ethyl-1,3-dihydro-3-(2-(4-morpholinyl)ethyl)-2H-benzimidazol-2-ylidene)-1-propenyl)-3-ethyl-, iodide, 2-[3-[5-chloro-1-ethyl-1,3-dihydro-3-[2-morpholinoethyl]-2H-benzimidazol-2-ylidene]prop-1-enyl]-3-ethylbenzoxazolium iodide, Benzoxazolium, 2-(3-(5-chloro-1-ethyl-1,3-dihydro-3-(2-(4-morpholinyl)ethyl)-2H-benzimidazol-2-ylidene)-1-propen-1-yl)-3-ethyl-, iodide (1:1), 2-(3-{5-chloro-1-ethyl-3-[2-(morpholin-4-yl)ethyl]-1,3-dihydro-2h-benzimidazol-2-ylidene}prop-1-en-1-yl)-3-ethyl-1,3-benzoxazol-3-ium iodide, Benzoxazolium, 2-[3-[5-chloro-1-ethyl-1,3-dihydro-3-[2-(4-morpholinyl)ethyl]-2H-benzimidazol-2-ylidene]-1-propenyl]-3-ethyl-, iodide
Technical Specifications
| Molecular Formula | C27H32ClIN4O2 |
| Molecular Weight | 606.12585 g/mol |
| XLogP | 1.93 |
| Topological Polar Surface Area (TPSA) | 36.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 606.12585 Da |
| Heavy Atoms | 35 |
| Complexity | 727.0 |
| SMILES | CCN1C2=C(C=C(C=C2)Cl)N(C1=CC=CC3=[N+](C4=CC=CC=C4O3)CC)CCN5CCOCC5.[I-] |
| InChIKey | FDZJJIPJNDQFMS-UHFFFAOYSA-M |
Chemical Property Profile of RefChem:118709
Property Insights of RefChem:118709
The XLogP value of 1.93 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:118709. With a topological polar surface area (TPSA) of 36.0 Ų, RefChem:118709 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:118709 has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of RefChem:118709?
The CAS number of RefChem:118709 is 63059-43-8.
What is the molecular formula of RefChem:118709?
The molecular formula of RefChem:118709 is C27H32ClIN4O2.
What is the molecular weight of RefChem:118709?
The molecular weight of RefChem:118709 is 606.12585 g/mol.
Where can I buy RefChem:118709?
You can request a quote for RefChem:118709 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:118709?
Yes, CoreyChem provides custom synthesis services for RefChem:118709 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.