RefChem:118635
TL;DR: RefChem:118635 (CAS 63815-94-1) is a chemical compound with molecular formula C27H33IN2O3S2 and molecular weight 624.0977 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[2-[2-[(3-ethyl-6-methoxy-5-methyl-1,3-benzothiazol-2-ylidene)methyl]but-1-enyl]-6-methoxy-5-methyl-1,3-benzothiazol-3-ium-3-yl]ethanol iodide
Also Known As: Benzothiazolium, 3-ethyl-2-(2-((3-(2-hydroxyethyl)-6-methoxy-5-methyl-2(3H)-benzothiazolylidene)methyl)-1-butenyl)-6-methoxy-5-methyl-, iodide, Benzothiazolium, 3-ethyl-2-(2-((3-(2-hydroxyethyl)-6-methoxy-5-methyl-2(3H)-benzothiazolylidene)methyl)-1-buten-1-yl)-6-methoxy-5-methyl-, iodide (1:1), Benzothiazolium, 3-ethyl-2-[2-[[3-(2-hydroxyethyl)-6-methoxy-5-methyl-2(3H)-benzothiazolylidene]methyl]-1-butenyl]-6-methoxy-5-methyl-, iodide, 3-[2,3-dimethyl-6-(trifluoromethyl)-1h-3,1-benzimidazol-3-ium-1-yl]propane-1-sulfonate, 2-[2-[2-[(3-ethyl-6-methoxy-5-methyl-1,3-benzothiazol-2-ylidene)methyl]but-1-enyl]-6-methoxy-5-methyl-1,3-benzothiazol-3-ium-3-yl]ethanol iodide
Technical Specifications
| Molecular Formula | C27H33IN2O3S2 |
| Molecular Weight | 624.0977 g/mol |
| XLogP | 3.09 |
| Topological Polar Surface Area (TPSA) | 99.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 624.0977 Da |
| Heavy Atoms | 35 |
| Complexity | 747.0 |
| SMILES | CCC(=CC1=[N+](C2=C(S1)C=C(C(=C2)C)OC)CCO)C=C3N(C4=C(S3)C=C(C(=C4)C)OC)CC.[I-] |
| InChIKey | FQITWMPLHQNZBR-UHFFFAOYSA-M |
Chemical Property Profile of RefChem:118635
Property Insights of RefChem:118635
The XLogP value of 3.09 indicates that RefChem:118635 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.4 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:118635. Following Lipinski's Rule of Five, RefChem:118635 has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of RefChem:118635?
The CAS number of RefChem:118635 is 63815-94-1.
What is the molecular formula of RefChem:118635?
The molecular formula of RefChem:118635 is C27H33IN2O3S2.
What is the molecular weight of RefChem:118635?
The molecular weight of RefChem:118635 is 624.0977 g/mol.
Where can I buy RefChem:118635?
You can request a quote for RefChem:118635 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:118635?
Yes, CoreyChem provides custom synthesis services for RefChem:118635 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.