RefChem:164692
TL;DR: RefChem:164692 (CAS 62609-97-6) is a chemical compound with molecular formula C31H28N2O3S2 and molecular weight 540.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methylbenzenesulfonate;1-methyl-2-[(E)-2-(2-methyl-1H-indol-3-yl)prop-1-enyl]benzo[e][1,3]benzothiazol-1-ium
Also Known As: Naphtho(1,2-d)thiazolium, 1-methyl-2-(2-(2-methyl-1H-indol-3-yl)-1-propenyl)-, salt with 4-methylbenzenesulfonic acid (1:1), 1-Methyl-2-(2-(2-methyl-1H-indol-3-yl)-1-propenyl)naphtho(1,2-d)thiazolium, 4-methylbenzenesulfonic acid salt, Naphtho(1,2-d)thiazolium, 1-methyl-2-(2-(2-methyl-1H-indol-3-yl)-1-propen-1-yl)-, 4-methylbenzenesulfonate (1:1), Naphtho[1,2-d]thiazolium, 1-methyl-2-[2-(2-methyl-1H-indol-3-yl)-1-propenyl]-, salt with 4-methylbenzenesulfonic acid (1:1), 4-methylbenzenesulfonate; 1-methyl-2-[(E)-2-(2-methyl-1H-indol-3-yl)prop-1-enyl]benzo[e][1,3]benzothiazol-1-ium
| Molecular Formula | C31H28N2O3S2 |
|---|---|
| Molecular Weight | 540.15 g/mol |
| LogP | 7.12834 |
| Topological Polar Surface Area | 76.87 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 540.1541 |
| Heavy Atoms | 38 |
| Complexity | 1929.7362 |
Chemical Identifiers
| CAS Number | 62609-97-6 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=C(C2=CC=CC=C2N1)/C(=C/C3=[N+](C4=C(S3)C=CC5=CC=CC=C54)C)/C |
Product Overview
RefChem:164692 (CAS 62609-97-6), with molecular formula C31H28N2O3S2 and molecular weight 540.15 g/mol. IUPAC: 4-methylbenzenesulfonate;1-methyl-2-[(E)-2-(2-methyl-1H-indol-3-yl)prop-1-enyl]benzo[e][1,3]benzothiazol-1-ium.
Chemical Property Profile of RefChem:164692
Property Insights of RefChem:164692
The XLogP value of 7.12834 indicates that RefChem:164692 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.87 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:164692. Following Lipinski's Rule of Five, RefChem:164692 has 1 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:164692?
The CAS number of RefChem:164692 is 62609-97-6.
What is the molecular formula of RefChem:164692?
The molecular formula of RefChem:164692 is C31H28N2O3S2.
What is the molecular weight of RefChem:164692?
The molecular weight of RefChem:164692 is 540.15 g/mol.
Where can I buy RefChem:164692?
You can request a quote for RefChem:164692 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:164692?
Yes, KEHONG BIO provides custom synthesis services for RefChem:164692 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.