RefChem:105826
TL;DR: RefChem:105826 (CAS 68568-79-6) is a chemical compound with molecular formula C22H26N6O6S2 and molecular weight 534.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-aminoethoxy)ethanol;6-methyl-2-[4-[(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)diazenyl]phenyl]-1,3-benzothiazole-7-sulfonic acid
Also Known As: 7-Benzothiazolesulfonic acid, 2-(4-((4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl)azo)phenyl)-6-methyl-, compd. with 2-(2-aminoethoxy)ethanol (1:1), 7-Benzothiazolesulfonic acid, 2-(4-(2-(4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl)diazenyl)phenyl)-6-methyl-, compd. with 2-(2-aminoethoxy)ethanol (1:1), 7-Benzothiazolesulfonic acid, 6-methyl-2-(4-((3-methyl-5-oxo-2-pyrazolin-4-yl)azo)phenyl)-, compound with 2-(2-aminoethoxy)ethanol (1:1), 6-methyl-2-{4-[(e)-(3-methyl-5-oxo-4,5-dihydro-1h-pyrazol-4-yl)diazenyl]phenyl}-1,3-benzothiazole-7-sulfonic acid- 2-(2-aminoethoxy)ethanol(1:1), 7-Benzothiazolesulfonic acid, 2-[4-[(4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl)azo]phenyl]-6-methyl-, compd. with 2-(2-aminoethoxy)ethanol (1:1)
| Molecular Formula | C22H26N6O6S2 |
|---|---|
| Molecular Weight | 534.14 g/mol |
| LogP | 2.43 |
| Topological Polar Surface Area | 226.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 8 |
| Exact Mass | 534.1355 |
| Heavy Atoms | 36 |
| Complexity | 836.0 |
Chemical Identifiers
| CAS Number | 68568-79-6 |
|---|---|
| SMILES | CC1=C(C2=C(C=C1)N=C(S2)C3=CC=C(C=C3)N=NC4C(=NNC4=O)C)S(=O)(=O)O.C(COCCO)N |
| InChIKey | OERNZVRTOWTOMC-UHFFFAOYSA-N |
Product Overview
RefChem:105826 (CAS 68568-79-6), with molecular formula C22H26N6O6S2 and molecular weight 534.14 g/mol. IUPAC: 2-(2-aminoethoxy)ethanol;6-methyl-2-[4-[(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)diazenyl]phenyl]-1,3-benzothiazole-7-sulfonic acid.
Chemical Property Profile of RefChem:105826
Property Insights of RefChem:105826
The XLogP value of 2.43 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:105826. The TPSA of 226.0 Ų indicates high polarity, suggesting RefChem:105826 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:105826 has 4 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:105826?
The CAS number of RefChem:105826 is 68568-79-6.
What is the molecular formula of RefChem:105826?
The molecular formula of RefChem:105826 is C22H26N6O6S2.
What is the molecular weight of RefChem:105826?
The molecular weight of RefChem:105826 is 534.14 g/mol.
Where can I buy RefChem:105826?
You can request a quote for RefChem:105826 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:105826?
Yes, KEHONG BIO provides custom synthesis services for RefChem:105826 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.