RefChem:118579
TL;DR: RefChem:118579 (CAS 67326-79-8) is a chemical compound with molecular formula C22H29ClN4O3S and molecular weight 464.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2,3-dimethoxypropyl)-N-ethyl-4-[(6-methoxy-3-methyl-1,3-benzothiazol-3-ium-2-yl)diazenyl]aniline chloride
Also Known As: 2-[[4-[(2,3-Dimethoxypropyl)ethylamino]phenyl]azo]-6-methoxy-3-methylbenzothiazolium chloride, 2-({4-[(2,3-dimethoxypropyl)(ethyl)amino]phenyl}diazenyl)-6-methoxy-3-methyl-1,3-benzothiazol-3-ium chloride, Benzothiazolium, 2-((4-((2,3-dimethoxypropyl)ethylamino)phenyl)azo)-6-methoxy-3-methyl-, chloride, Benzothiazolium, 2-(2-(4-((2,3-dimethoxypropyl)ethylamino)phenyl)diazenyl)-6-methoxy-3-methyl-, chloride (1:1), 2-((4-((2,3-Dimethoxypropyl)ethylamino)phenyl)azo)-6-methoxy-3-methylbenzothiazolium chloride
| Molecular Formula | C22H29ClN4O3S |
|---|---|
| Molecular Weight | 464.16 g/mol |
| LogP | 1.64 |
| Topological Polar Surface Area | 87.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 10 |
| Exact Mass | 464.1649 |
| Heavy Atoms | 31 |
| Complexity | 533.0 |
Chemical Identifiers
| CAS Number | 67326-79-8 |
|---|---|
| SMILES | CCN(CC(COC)OC)C1=CC=C(C=C1)N=NC2=[N+](C3=C(S2)C=C(C=C3)OC)C.[Cl-] |
| InChIKey | MRPABYXFRYAUII-UHFFFAOYSA-M |
Product Overview
RefChem:118579 (CAS 67326-79-8), with molecular formula C22H29ClN4O3S and molecular weight 464.16 g/mol. IUPAC: N-(2,3-dimethoxypropyl)-N-ethyl-4-[(6-methoxy-3-methyl-1,3-benzothiazol-3-ium-2-yl)diazenyl]aniline chloride.
Chemical Property Profile of RefChem:118579
Property Insights of RefChem:118579
The XLogP value of 1.64 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:118579. The TPSA of 87.8 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:118579. Following Lipinski's Rule of Five, RefChem:118579 has 0 hydrogen bond donor(s) and 8 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:118579?
The CAS number of RefChem:118579 is 67326-79-8.
What is the molecular formula of RefChem:118579?
The molecular formula of RefChem:118579 is C22H29ClN4O3S.
What is the molecular weight of RefChem:118579?
The molecular weight of RefChem:118579 is 464.16 g/mol.
Where can I buy RefChem:118579?
You can request a quote for RefChem:118579 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:118579?
Yes, KEHONG BIO provides custom synthesis services for RefChem:118579 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.