RefChem:164687
TL;DR: RefChem:164687 (CAS 989-77-5) is a chemical compound with molecular formula C30H27ClN2S2 and molecular weight 514.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-ethyl-2-[3-(1-ethylbenzo[e][1,3]benzothiazol-1-ium-2-yl)-2-methylprop-2-enylidene]benzo[e][1,3]benzothiazole chloride
Also Known As: Naphtho[1,2-d]thiazolium, 1-ethyl-2-[3-(1-ethylnaphtho[1,2-d]thiazol-2(1H)-ylidene)-2-methyl-1-propen-1-yl]-, chloride (1:1), 1-Ethyl-2-[3-(1-ethylnaphtho[1,2-d][1,3]thiazol-2(1H)-ylidene)-2-methylprop-1-en-1-yl]naphtho[1,2-d][1,3]thiazol-1-ium chloride, Naphtho(1,2-d)thiazolium, 1-ethyl-2-(3-(1-ethylnaphtho(1,2-d)thiazol-2(1H)-ylidene)-2-methyl-1-propen-1-yl)-, chloride (1:1), Naphtho(1,2-d)thiazolium, 1-ethyl-2-(3-(1-ethylnaphtho(1,2-d)thiazol-2(1H)-ylidene)-2-methyl-1-propenyl)-, chloride, Naphtho[1,2-d]thiazolium, 1-ethyl-2-[3-(1-ethylnaphtho[1,2-d]thiazol-2(1H)-ylidene)-2-methyl-1-propenyl]-, chloride
| Molecular Formula | C30H27ClN2S2 |
|---|---|
| Molecular Weight | 514.13 g/mol |
| LogP | 5.4 |
| Topological Polar Surface Area | 60.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 514.13043 |
| Heavy Atoms | 35 |
| Complexity | 730.0 |
Chemical Identifiers
| CAS Number | 989-77-5 |
|---|---|
| SMILES | CCN1C(=CC(=CC2=[N+](C3=C(S2)C=CC4=CC=CC=C43)CC)C)SC5=C1C6=CC=CC=C6C=C5.[Cl-] |
| InChIKey | RQOJAEOLGNQGJD-UHFFFAOYSA-M |
Product Overview
RefChem:164687 (CAS 989-77-5), with molecular formula C30H27ClN2S2 and molecular weight 514.13 g/mol. IUPAC: 1-ethyl-2-[3-(1-ethylbenzo[e][1,3]benzothiazol-1-ium-2-yl)-2-methylprop-2-enylidene]benzo[e][1,3]benzothiazole chloride.
Chemical Property Profile of RefChem:164687
Property Insights of RefChem:164687
The XLogP value of 5.4 indicates that RefChem:164687 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.7 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:164687. Following Lipinski's Rule of Five, RefChem:164687 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:164687?
The CAS number of RefChem:164687 is 989-77-5.
What is the molecular formula of RefChem:164687?
The molecular formula of RefChem:164687 is C30H27ClN2S2.
What is the molecular weight of RefChem:164687?
The molecular weight of RefChem:164687 is 514.13 g/mol.
Where can I buy RefChem:164687?
You can request a quote for RefChem:164687 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:164687?
Yes, KEHONG BIO provides custom synthesis services for RefChem:164687 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.