RefChem:164680
TL;DR: RefChem:164680 (CAS 63665-89-4) is a chemical compound with molecular formula C26H25BrN2S and molecular weight 476.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-ethyl-2-[(1-ethyl-6-methylquinolin-1-ium-2-yl)methylidene]benzo[e][1,3]benzothiazole bromide
Also Known As: Naphtho(1,2-d)thiazolium, 1-ethyl-2-((1-ethyl-6-methyl-2(1H)-quinolinylidene)methyl)-, bromide, Naphtho(1,2-d)thiazolium, 1-ethyl-2-((1-ethyl-6-methyl-2(1H)-quinolinylidene)methyl)-, bromide (1:1), Naphtho[1,2-d]thiazolium, 1-ethyl-2-[(1-ethyl-6-methyl-2(1H)-quinolinylidene)methyl]-, bromide, 1-ethyl-2-[(1-ethyl-6-methylquinolin-1-ium-2-yl)methylidene]benzo[e][1,3]benzothiazole bromide, Naphtho[1,2-d]thiazolium, 1-ethyl-2-[(1-ethyl-6-methyl-2(1H)-quinolinylidene)methyl]-, bromide (1:1)
| Molecular Formula | C26H25BrN2S |
|---|---|
| Molecular Weight | 476.09 g/mol |
| LogP | 3.54 |
| Topological Polar Surface Area | 32.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 476.0922 |
| Heavy Atoms | 30 |
| Complexity | 604.0 |
Chemical Identifiers
| CAS Number | 63665-89-4 |
|---|---|
| SMILES | CCN1C(=CC2=[N+](C3=C(C=C2)C=C(C=C3)C)CC)SC4=C1C5=CC=CC=C5C=C4.[Br-] |
| InChIKey | JTMXDRPWCSRGDZ-UHFFFAOYSA-M |
Product Overview
RefChem:164680 (CAS 63665-89-4), with molecular formula C26H25BrN2S and molecular weight 476.09 g/mol. IUPAC: 1-ethyl-2-[(1-ethyl-6-methylquinolin-1-ium-2-yl)methylidene]benzo[e][1,3]benzothiazole bromide.
Chemical Property Profile of RefChem:164680
Property Insights of RefChem:164680
The XLogP value of 3.54 indicates that RefChem:164680 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.4 Ų, RefChem:164680 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:164680 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:164680?
The CAS number of RefChem:164680 is 63665-89-4.
What is the molecular formula of RefChem:164680?
The molecular formula of RefChem:164680 is C26H25BrN2S.
What is the molecular weight of RefChem:164680?
The molecular weight of RefChem:164680 is 476.09 g/mol.
Where can I buy RefChem:164680?
You can request a quote for RefChem:164680 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:164680?
Yes, KEHONG BIO provides custom synthesis services for RefChem:164680 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.