RefChem:164696
TL;DR: RefChem:164696 (CAS 63149-20-2) is a chemical compound with molecular formula C20H19NO3S3 and molecular weight 417.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methylbenzenesulfonate;1-methyl-2-methylsulfanylbenzo[e][1,3]benzothiazol-1-ium
Also Known As: 1-Methyl-2-(methylthio)naphtho(1,2-d)-thiazolium 4-methylbenzenesulfonate, Naphtho(1,2-d)thiazolium, 1-methyl-2-(methylthio)-, 4-methylbenzenesulfonate (1:1), Naphtho(1,2-d)thiazolium, 1-methyl-2-(methylthio)-, salt with 4-methylbenzenesulfonic acid (1:1), Naphtho[1,2-d]thiazolium, 1-methyl-2-(methylthio)-, salt with 4-methylbenzenesulfonic acid (1:1), 4-methylbenzenesulfonate; 1-methyl-2-methylsulfanylbenzo[e][1,3]benzothiazol-1-ium
| Molecular Formula | C20H19NO3S3 |
|---|---|
| Molecular Weight | 417.05 g/mol |
| LogP | 4.50002 |
| Topological Polar Surface Area | 61.08 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 417.0527 |
| Heavy Atoms | 27 |
| Complexity | 1196.5878 |
Chemical Identifiers
| CAS Number | 63149-20-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+]1=C(SC2=C1C3=CC=CC=C3C=C2)SC |
Product Overview
RefChem:164696 (CAS 63149-20-2), with molecular formula C20H19NO3S3 and molecular weight 417.05 g/mol. IUPAC: 4-methylbenzenesulfonate;1-methyl-2-methylsulfanylbenzo[e][1,3]benzothiazol-1-ium.
Chemical Property Profile of RefChem:164696
Property Insights of RefChem:164696
The XLogP value of 4.50002 indicates that RefChem:164696 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.08 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:164696. Following Lipinski's Rule of Five, RefChem:164696 has 0 hydrogen bond donor(s) and 5 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:164696?
The CAS number of RefChem:164696 is 63149-20-2.
What is the molecular formula of RefChem:164696?
The molecular formula of RefChem:164696 is C20H19NO3S3.
What is the molecular weight of RefChem:164696?
The molecular weight of RefChem:164696 is 417.05 g/mol.
Where can I buy RefChem:164696?
You can request a quote for RefChem:164696 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:164696?
Yes, KEHONG BIO provides custom synthesis services for RefChem:164696 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.