RefChem:118636
TL;DR: RefChem:118636 (CAS 63816-16-0) is a chemical compound with molecular formula C25H29IN2OSSe and molecular weight 612.02106 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-ethyl-2-[2-[(3-ethyl-5-methoxy-1,3-benzoselenazol-2-ylidene)methyl]but-1-enyl]-6-methyl-1,3-benzothiazol-3-ium iodide
Also Known As: Benzothiazolium, 3-ethyl-2-(2-((3-ethyl-5-methoxy-2(3H)-benzoselenazolylidene)methyl)-1-buten-1-yl)-6-methyl-, iodide (1:1), Benzothiazolium, 3-ethyl-2-(2-((3-ethyl-5-methoxy-2(3H)-benzoselenazolylidene)methyl)-1-butenyl)-6-methyl-, iodide, Benzothiazolium, 3-ethyl-2-[2-[(3-ethyl-5-methoxy-2(3H)-benzoselenazolylidene)methyl]-1-butenyl]-6-methyl-, iodide, Benzothiazolium. 3-ethyl-2-(2-((3-ethyl-5-methoxy-2(3H)-benzoselenazolylidene)methyl)-1-butenyl)-6-methyl-, iodide, 3-ethyl-2-[2-[methyl]but-1-enyl]-6-methylbenzothiazoliumiodide
Technical Specifications
| Molecular Formula | C25H29IN2OSSe |
| Molecular Weight | 612.02106 g/mol |
| XLogP | 2.03 |
| Topological Polar Surface Area (TPSA) | 44.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 612.02106 Da |
| Heavy Atoms | 31 |
| Complexity | 653.0 |
| SMILES | CCC(=CC1=[N+](C2=C(S1)C=C(C=C2)C)CC)C=C3N(C4=C([Se]3)C=CC(=C4)OC)CC.[I-] |
| InChIKey | CQAPUGWAMRGZBV-UHFFFAOYSA-M |
Chemical Property Profile of RefChem:118636
Property Insights of RefChem:118636
The XLogP value of 2.03 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:118636. With a topological polar surface area (TPSA) of 44.6 Ų, RefChem:118636 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:118636 has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of RefChem:118636?
The CAS number of RefChem:118636 is 63816-16-0.
What is the molecular formula of RefChem:118636?
The molecular formula of RefChem:118636 is C25H29IN2OSSe.
What is the molecular weight of RefChem:118636?
The molecular weight of RefChem:118636 is 612.02106 g/mol.
Where can I buy RefChem:118636?
You can request a quote for RefChem:118636 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:118636?
Yes, CoreyChem provides custom synthesis services for RefChem:118636 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.