RefChem:118580
TL;DR: RefChem:118580 (CAS 72121-85-8) is a chemical compound with molecular formula C18H21ClN4O2S and molecular weight 392.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-[(6-methoxy-3-methyl-1,3-benzothiazol-3-ium-2-yl)diazenyl]-N-methylanilino]ethanol chloride
Also Known As: Benzothiazolium, 2-((4-((2-hydroxyethyl)methylamino)phenyl)azo)-6-methoxy-3-methyl-, chloride, Benzothiazolium, 2-(2-(4-((2-hydroxyethyl)methylamino)phenyl)diazenyl)-6-methoxy-3-methyl-, chloride (1:1), 615-718-5, Benzothiazolium, 2-[[4-[(2-hydroxyethyl)methylamino]phenyl]azo]-6-methoxy-3-methyl-, chloride, Benzothiazolium, 2-[2-[4-[(2-hydroxyethyl)methylamino]phenyl]diazenyl]-6-methoxy-3-methyl-, chloride (1:1)
| Molecular Formula | C18H21ClN4O2S |
|---|---|
| Molecular Weight | 392.11 g/mol |
| LogP | 0.5823 |
| Topological Polar Surface Area | 61.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 392.10736 |
| Heavy Atoms | 26 |
| Complexity | 896.0925 |
Chemical Identifiers
| CAS Number | 72121-85-8 |
|---|---|
| SMILES | C[N+]1=C(SC2=C1C=CC(=C2)OC)N=NC3=CC=C(C=C3)N(C)CCO.[Cl-] |
Product Overview
RefChem:118580 (CAS 72121-85-8), with molecular formula C18H21ClN4O2S and molecular weight 392.11 g/mol. IUPAC: 2-[4-[(6-methoxy-3-methyl-1,3-benzothiazol-3-ium-2-yl)diazenyl]-N-methylanilino]ethanol chloride.
Chemical Property Profile of RefChem:118580
Property Insights of RefChem:118580
The XLogP value of 0.5823 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:118580. The TPSA of 61.3 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:118580. Following Lipinski's Rule of Five, RefChem:118580 has 1 hydrogen bond donor(s) and 6 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:118580?
The CAS number of RefChem:118580 is 72121-85-8.
What is the molecular formula of RefChem:118580?
The molecular formula of RefChem:118580 is C18H21ClN4O2S.
What is the molecular weight of RefChem:118580?
The molecular weight of RefChem:118580 is 392.11 g/mol.
Where can I buy RefChem:118580?
You can request a quote for RefChem:118580 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:118580?
Yes, KEHONG BIO provides custom synthesis services for RefChem:118580 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.