RefChem:118725
TL;DR: RefChem:118725 (CAS 63870-45-1) is a chemical compound with molecular formula C25H29IN2OS and molecular weight 532.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-ethyl-2-[2-[(3-ethyl-1,3-benzothiazol-3-ium-2-yl)methylidene]butylidene]-5,6-dimethyl-1,3-benzoxazole iodide
Also Known As: Benzoxazolium, 3-ethyl-2-[2-[(3-ethyl-2(3H)-benzothiazolylidene)methyl]-1-butenyl]-5,6-dimethyl-, iodide, Benzoxazolium, 3-ethyl-2-(2-((3-ethyl-2(3H)-benzothiazolylidene)methyl)-1-buten-1-yl)-5,6-dimethyl-, iodide (1:1), Benzoxazolium, 3-ethyl-2-(2-((3-ethyl-2(3H)-benzothiazolylidene)methyl)-1-butenyl)-5,6-dimethyl-, iodide, (2Z)-3-ethyl-2-[(2E)-2-[(3-ethyl-1,3-benzothiazol-3-ium-2-yl)methylidene]butylidene]-5,6-dimethyl-1,3-benzoxazole iodide, (2Z)-3-ethyl-2-[(2E)-2-[(3-ethyl-1,3-benzothiazol-3-ium-2-yl)methylidene]butylidene]-5,6-dimethyl-1,3-benzoxazole,iodide
| Molecular Formula | C25H29IN2OS |
|---|---|
| Molecular Weight | 532.10 g/mol |
| LogP | 3.38324 |
| Topological Polar Surface Area | 44.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 532.10455 |
| Heavy Atoms | 30 |
| Complexity | 632.0 |
Chemical Identifiers
| CAS Number | 63870-45-1 |
|---|---|
| SMILES | CCC(=CC1=[N+](C2=CC=CC=C2S1)CC)C=C3N(C4=C(O3)C=C(C(=C4)C)C)CC.[I-] |
| InChIKey | OZPMNWSLSANVJN-UHFFFAOYSA-M |
Product Overview
RefChem:118725 (CAS 63870-45-1), with molecular formula C25H29IN2OS and molecular weight 532.10 g/mol. IUPAC: 3-ethyl-2-[2-[(3-ethyl-1,3-benzothiazol-3-ium-2-yl)methylidene]butylidene]-5,6-dimethyl-1,3-benzoxazole iodide.
Chemical Property Profile of RefChem:118725
Property Insights of RefChem:118725
The XLogP value of 3.38324 indicates that RefChem:118725 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.6 Ų, RefChem:118725 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:118725 has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:118725?
The CAS number of RefChem:118725 is 63870-45-1.
What is the molecular formula of RefChem:118725?
The molecular formula of RefChem:118725 is C25H29IN2OS.
What is the molecular weight of RefChem:118725?
The molecular weight of RefChem:118725 is 532.10 g/mol.
Where can I buy RefChem:118725?
You can request a quote for RefChem:118725 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:118725?
Yes, KEHONG BIO provides custom synthesis services for RefChem:118725 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.