RefChem:105824
TL;DR: RefChem:105824 (CAS 70776-28-2) is a chemical compound with molecular formula C24H30N6O7S2 and molecular weight 578.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[bis(2-hydroxyethyl)amino]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: 6-Methyl-2-(p((3-methyl-5-oxo-2-pyrazolin-4-yl)azo)phenyl)-7-benzothiazolesulfonic acid, compd. with 2,2',2''-nitrilotriethanol (1:1), 6-Methyl-2-(p-((3-methyl-5-oxo-2-pyrazolin-4-yl)azo)phenyl)-7-benzothiazolesulfonic acid, compd. with 2,2',2''-nitrilotriethanol (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',2''-nitrilotris(ethanol) (1:1), 7-Benzothiazolesulfonic acid, 6-methyl-2-(4-((3-methyl-5-oxo-2-pyrazolin-4-yl)azo)phenyl)-, compound with 2,2',2''-nitrilotris(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',2''-nitrilotris(ethanol) (1:1)
| Molecular Formula | C24H30N6O7S2 |
|---|---|
| Molecular Weight | 578.16 g/mol |
| LogP | 1.74172 |
| Topological Polar Surface Area | 234.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 10 |
| Exact Mass | 578.16174 |
| Heavy Atoms | 39 |
| Complexity | 859.0 |
Chemical Identifiers
| CAS Number | 70776-28-2 |
|---|---|
| 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(CO)N(CCO)CCO |
| InChIKey | SZXSYHQSZIBLRO-UHFFFAOYSA-N |
Product Overview
RefChem:105824 (CAS 70776-28-2), with molecular formula C24H30N6O7S2 and molecular weight 578.16 g/mol. IUPAC: 2-[bis(2-hydroxyethyl)amino]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:105824
Property Insights of RefChem:105824
The XLogP value of 1.74172 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:105824. The TPSA of 234.0 Ų indicates high polarity, suggesting RefChem:105824 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:105824 has 5 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:105824?
The CAS number of RefChem:105824 is 70776-28-2.
What is the molecular formula of RefChem:105824?
The molecular formula of RefChem:105824 is C24H30N6O7S2.
What is the molecular weight of RefChem:105824?
The molecular weight of RefChem:105824 is 578.16 g/mol.
Where can I buy RefChem:105824?
You can request a quote for RefChem:105824 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:105824?
Yes, KEHONG BIO provides custom synthesis services for RefChem:105824 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.