RefChem:105822
TL;DR: RefChem:105822 (CAS 65072-43-7) is a chemical compound with molecular formula C23H28N6O7S2 and molecular weight 564.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-hydroxyethylamino)ethanol;2-[4-[[1-(hydroxymethyl)-3-methyl-5-oxo-4H-pyrazol-4-yl]diazenyl]phenyl]-6-methyl-1,3-benzothiazole-7-sulfonic acid
Also Known As: 2-(4-{(e)-[1-(hydroxymethyl)-3-methyl-5-oxo-4,5-dihydro-1h-pyrazol-4-yl]diazenyl}phenyl)-6-methyl-1,3-benzothiazole-7-sulfonic acid- 2,2'-iminodiethanol(1:1), 7-Benzothiazolesulfonic acid, 2-(4-((1-(hydroxymethyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl)azo)phenyl)-6-methyl-, compd. with 2,2'-iminobis(ethanol) (1:1), 7-Benzothiazolesulfonic acid, 2-(4-(2-(4,5-dihydro-1-(hydroxymethyl)-3-methyl-5-oxo-1H-pyrazol-4-yl)diazenyl)phenyl)-6-methyl-, compd. with 2,2'-iminobis(ethanol) (1:1), 7-Benzothiazolesulfonic acid, 2-(p-((1-(hydroxymethyl)-3-methyl-5-oxo-2-pyrazolin-4-yl)azo)phenyl)-6-methyl-, compd. with 2,2'-iminodiethanol (1:1), 7-Benzothiazolesulfonic acid, 2-[4-[[1-(hydroxymethyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]azo]phenyl]-6-methyl-, compd. with 2,2'-iminobis[ethanol] (1:1)
| Molecular Formula | C23H28N6O7S2 |
|---|---|
| Molecular Weight | 564.15 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 234.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 9 |
| Exact Mass | 564.1461 |
| Heavy Atoms | 38 |
| Complexity | 881.0 |
Chemical Identifiers
| CAS Number | 65072-43-7 |
|---|---|
| SMILES | CC1=C(C2=C(C=C1)N=C(S2)C3=CC=C(C=C3)N=NC4C(=NN(C4=O)CO)C)S(=O)(=O)O.C(CO)NCCO |
| InChIKey | WKOXVJYFUTURSL-UHFFFAOYSA-N |
Product Overview
RefChem:105822 (CAS 65072-43-7), with molecular formula C23H28N6O7S2 and molecular weight 564.15 g/mol. IUPAC: 2-(2-hydroxyethylamino)ethanol;2-[4-[[1-(hydroxymethyl)-3-methyl-5-oxo-4H-pyrazol-4-yl]diazenyl]phenyl]-6-methyl-1,3-benzothiazole-7-sulfonic acid.
Chemical Property Profile of RefChem:105822
Property Insights of RefChem:105822
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:105822. The TPSA of 234.0 Ų indicates high polarity, suggesting RefChem:105822 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:105822 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:105822?
The CAS number of RefChem:105822 is 65072-43-7.
What is the molecular formula of RefChem:105822?
The molecular formula of RefChem:105822 is C23H28N6O7S2.
What is the molecular weight of RefChem:105822?
The molecular weight of RefChem:105822 is 564.15 g/mol.
Where can I buy RefChem:105822?
You can request a quote for RefChem:105822 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:105822?
Yes, KEHONG BIO provides custom synthesis services for RefChem:105822 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.