RefChem:118589
TL;DR: RefChem:118589 (CAS 71215-82-2) is a chemical compound with molecular formula C20H25ClN4O2S and molecular weight 420.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[N-ethyl-4-[(6-methoxy-3-methyl-1,3-benzothiazol-3-ium-2-yl)diazenyl]anilino]propan-1-ol chloride
Also Known As: 2-((4-(Ethyl(2-hydroxyisopropyl)amino)phenyl)azo)-6-methoxy-3-methylbenzothiazolium chloride, 2-({4-[ethyl(1-hydroxypropan-2-yl)amino]phenyl}diazenyl)-6-methoxy-3-methyl-1,3-benzothiazol-3-ium chloride, 2-((4-(Ethyl(2-hydroxy-1-methylethyl)amino)phenyl)azo)-6-methoxy-3-methylbenzothiazolium chloride, Benzothiazolium, 2-((4-(ethyl(2-hydroxy-1-methylethyl)amino)phenyl)azo)-6-methoxy-3-methyl-, chloride, Benzothiazolium, 2-(2-(4-(ethyl(2-hydroxy-1-methylethyl)amino)phenyl)diazenyl)-6-methoxy-3-methyl-, chloride (1:1)
| Molecular Formula | C20H25ClN4O2S |
|---|---|
| Molecular Weight | 420.14 g/mol |
| LogP | 1.36 |
| Topological Polar Surface Area | 89.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 420.13867 |
| Heavy Atoms | 28 |
| Complexity | 487.0 |
Chemical Identifiers
| CAS Number | 71215-82-2 |
|---|---|
| SMILES | CCN(C1=CC=C(C=C1)N=NC2=[N+](C3=C(S2)C=C(C=C3)OC)C)C(C)CO.[Cl-] |
| InChIKey | WFPORKCLVFFAMS-UHFFFAOYSA-M |
Product Overview
RefChem:118589 (CAS 71215-82-2), with molecular formula C20H25ClN4O2S and molecular weight 420.14 g/mol. IUPAC: 2-[N-ethyl-4-[(6-methoxy-3-methyl-1,3-benzothiazol-3-ium-2-yl)diazenyl]anilino]propan-1-ol chloride.
Chemical Property Profile of RefChem:118589
Property Insights of RefChem:118589
The XLogP value of 1.36 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:118589. The TPSA of 89.5 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:118589. Following Lipinski's Rule of Five, RefChem:118589 has 1 hydrogen bond donor(s) and 7 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:118589?
The CAS number of RefChem:118589 is 71215-82-2.
What is the molecular formula of RefChem:118589?
The molecular formula of RefChem:118589 is C20H25ClN4O2S.
What is the molecular weight of RefChem:118589?
The molecular weight of RefChem:118589 is 420.14 g/mol.
Where can I buy RefChem:118589?
You can request a quote for RefChem:118589 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:118589?
Yes, KEHONG BIO provides custom synthesis services for RefChem:118589 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.