RefChem:118553
TL;DR: RefChem:118553 (CAS 33609-19-7) is a chemical compound with molecular formula C17H21IN2SSe and molecular weight 491.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-ethyl-2-[3-(3-ethyl-1,3-benzoselenazol-3-ium-2-yl)prop-2-enylidene]-1,3-thiazolidine iodide
Also Known As: 3-ethyl-2-[3- prop-1-enyl]benzoselenazoliumiodide, Benzoselenazolium, 3-ethyl-2-[3-(3-ethyl-2-thiazolidinylidene)-1-propenyl]-, iodide, Benzoselenazolium, 3-ethyl-2-[3-(3-ethyl-2-thiazolidinylidene)-1-propen-1-yl]-, iodide (1:1), Benzoselenazolium, 3-ethyl-2-(3-(3-ethyl-2-thiazolidinylidene)-1-propenyl)-, iodide, 3-ethyl-2-[(E,3Z)-3-(3-ethyl-1,3-benzoselenazol-2-ylidene)prop-1-enyl]-4,5-dihydro-1,3-thiazol-3-ium,iodide
| Molecular Formula | C17H21IN2SSe |
|---|---|
| Molecular Weight | 491.96 g/mol |
| LogP | 0.1315 |
| Topological Polar Surface Area | 32.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 491.96353 |
| Heavy Atoms | 22 |
| Complexity | 410.0 |
Chemical Identifiers
| CAS Number | 33609-19-7 |
|---|---|
| SMILES | CCN1CCSC1=CC=CC2=[N+](C3=CC=CC=C3[Se]2)CC.[I-] |
| InChIKey | VRVUZOUVSBQDFR-UHFFFAOYSA-M |
Product Overview
RefChem:118553 (CAS 33609-19-7), with molecular formula C17H21IN2SSe and molecular weight 491.96 g/mol. IUPAC: 3-ethyl-2-[3-(3-ethyl-1,3-benzoselenazol-3-ium-2-yl)prop-2-enylidene]-1,3-thiazolidine iodide.
Chemical Property Profile of RefChem:118553
Property Insights of RefChem:118553
The XLogP value of 0.1315 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:118553. With a topological polar surface area (TPSA) of 32.4 Ų, RefChem:118553 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:118553 has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:118553?
The CAS number of RefChem:118553 is 33609-19-7.
What is the molecular formula of RefChem:118553?
The molecular formula of RefChem:118553 is C17H21IN2SSe.
What is the molecular weight of RefChem:118553?
The molecular weight of RefChem:118553 is 491.96 g/mol.
Where can I buy RefChem:118553?
You can request a quote for RefChem:118553 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:118553?
Yes, KEHONG BIO provides custom synthesis services for RefChem:118553 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.