RefChem:164704
TL;DR: RefChem:164704 (CAS 63815-83-8) is a chemical compound with molecular formula C30H27IN2OS3 and molecular weight 654.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-(3-ethyl-6-methoxy-5-methyl-1,3-benzothiazol-2-ylidene)-2-thiophen-2-ylprop-1-enyl]-1-methylbenzo[e][1,3]benzothiazol-1-ium iodide
Also Known As: Naphtho(1,2-d)thiazolium, 2-(3-(3-ethyl-6-methoxy-5-methyl-2(3H)-benzothiazolylidene)-2-(2-thienyl)-1-propenyl)-1-methyl-, iodide, Naphtho(1,2-d)thiazolium, 2-(3-(3-ethyl-6-methoxy-5-methyl-2(3H)-benzothiazolylidene)-2-(2-thienyl)-1-propen-1-yl)-1-methyl-, iodide (1:1), 2-[3-(3-ethyl-6-methoxy-5-methyl-3H-benzothiazol-2-ylidene)-2-(2-thienyl)-1-propenyl]-1-methylnaphtho[1,2-d]thiazolium iodide, Naphtho[1,2-d]thiazolium, 2-[3-(3-ethyl-6-methoxy-5-methyl-2(3H)-benzothiazolylidene)-2-(2-thienyl)-1-propen-1-yl]-1-methyl-, iodide (1:1), Naphtho[1,2-d]thiazolium, 2-[3-(3-ethyl-6-methoxy-5-methyl-2(3H)-benzothiazolylidene)-2-(2-thienyl)-1-propenyl]-1-methyl-, iodide
| Molecular Formula | C30H27IN2OS3 |
|---|---|
| Molecular Weight | 654.03 g/mol |
| LogP | 5.28 |
| Topological Polar Surface Area | 98.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 654.033 |
| Heavy Atoms | 37 |
| Complexity | 848.0 |
Chemical Identifiers
| CAS Number | 63815-83-8 |
|---|---|
| SMILES | CCN1C2=C(C=C(C(=C2)C)OC)SC1=CC(=CC3=[N+](C4=C(S3)C=CC5=CC=CC=C54)C)C6=CC=CS6.[I-] |
| InChIKey | DBRUMENGKOETDA-UHFFFAOYSA-M |
Product Overview
RefChem:164704 (CAS 63815-83-8), with molecular formula C30H27IN2OS3 and molecular weight 654.03 g/mol. IUPAC: 2-[3-(3-ethyl-6-methoxy-5-methyl-1,3-benzothiazol-2-ylidene)-2-thiophen-2-ylprop-1-enyl]-1-methylbenzo[e][1,3]benzothiazol-1-ium iodide.
Chemical Property Profile of RefChem:164704
Property Insights of RefChem:164704
The XLogP value of 5.28 indicates that RefChem:164704 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.1 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:164704. Following Lipinski's Rule of Five, RefChem:164704 has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:164704?
The CAS number of RefChem:164704 is 63815-83-8.
What is the molecular formula of RefChem:164704?
The molecular formula of RefChem:164704 is C30H27IN2OS3.
What is the molecular weight of RefChem:164704?
The molecular weight of RefChem:164704 is 654.03 g/mol.
Where can I buy RefChem:164704?
You can request a quote for RefChem:164704 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:164704?
Yes, KEHONG BIO provides custom synthesis services for RefChem:164704 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.