RefChem:164684
TL;DR: RefChem:164684 (CAS 41737-77-3) is a chemical compound with molecular formula C28H26N2O3S2 and molecular weight 502.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(E)-2-(1-ethylbenzo[e][1,3]benzothiazol-1-ium-2-yl)ethenyl]aniline;4-methylbenzenesulfonate
Also Known As: 2-(2-Anilinovinyl)-1-ethylnaphtho(1,2-d)thiazolium 4-methylbenzenesulfonate, Naphtho(1,2-d)thiazolium, 1-ethyl-2-(2-(phenylamino)ethenyl)-, 4-methylbenzenesulfonate (1:1), Naphtho[1,2-d]thiazolium, 1-ethyl-2-[2-(phenylamino)ethenyl]-, salt with 4-methylbenzenesulfonic acid (1:1), Naphtho(1,2-d)thiazolium, 1-ethyl-2-(2-(phenylamino)ethenyl)-, salt with 4-methylbenzenesulfonic acid (1:1), 2-(2-Anilinoethen-1-yl)-1-ethylnaphtho[1,2-d][1,3]thiazol-1-ium 4-methylbenzene-1-sulfonate
| Molecular Formula | C28H26N2O3S2 |
|---|---|
| Molecular Weight | 502.14 g/mol |
| LogP | 6.34382 |
| Topological Polar Surface Area | 73.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 502.1385 |
| Heavy Atoms | 35 |
| Complexity | 1573.9877 |
Chemical Identifiers
| CAS Number | 41737-77-3 |
|---|---|
| SMILES | CC[N+]1=C(SC2=C1C3=CC=CC=C3C=C2)/C=C/NC4=CC=CC=C4.CC1=CC=C(C=C1)S(=O)(=O)[O-] |
Product Overview
RefChem:164684 (CAS 41737-77-3), with molecular formula C28H26N2O3S2 and molecular weight 502.14 g/mol. IUPAC: N-[(E)-2-(1-ethylbenzo[e][1,3]benzothiazol-1-ium-2-yl)ethenyl]aniline;4-methylbenzenesulfonate.
Chemical Property Profile of RefChem:164684
Property Insights of RefChem:164684
The XLogP value of 6.34382 indicates that RefChem:164684 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.11 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:164684. Following Lipinski's Rule of Five, RefChem:164684 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:164684?
The CAS number of RefChem:164684 is 41737-77-3.
What is the molecular formula of RefChem:164684?
The molecular formula of RefChem:164684 is C28H26N2O3S2.
What is the molecular weight of RefChem:164684?
The molecular weight of RefChem:164684 is 502.14 g/mol.
Where can I buy RefChem:164684?
You can request a quote for RefChem:164684 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:164684?
Yes, KEHONG BIO provides custom synthesis services for RefChem:164684 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.