RefChem:105819
TL;DR: RefChem:105819 (CAS 72705-24-9) is a chemical compound with molecular formula C26H26N5NaO9S3 and molecular weight 671.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
azanium;sodium;2-[4-[[1-(2-methoxy-5-methyl-4-sulfonatoanilino)-1,3-dioxobutan-2-yl]diazenyl]phenyl]-6-methyl-1,3-benzothiazole-7-sulfonate
Also Known As: C.I. DIRECT YELLOW 157, 7-Benzothiazolesulfonic acid, 2-(4-(2-(1-(((2-methoxy-5-methyl-4-sulfophenyl)amino)carbonyl)-2-oxopropyl)diazenyl)phenyl)-6-methyl-, ammonium sodium salt (1:1:1), Ammonium sodium 2-(4-((1-(((2-methoxy-5-methyl-4-sulphonatophenyl)amino)carbonyl)-2-oxopropyl)azo)phenyl)-6-methylbenzothiazole-7-sulphonate, 7-Benzothiazolesulfonic acid, 2-(4-((1-(((2-methoxy-5-methyl-4-sulfophenyl)amino)carbonyl)-2-oxopropyl)azo)phenyl)-6-methyl-, monoammonium monosodium salt, 7-Benzothiazolesulfonic acid, 2-[4-[[1-[[(2-methoxy-5-methyl-4-sulfophenyl)amino]carbonyl]-2-oxopropyl]azo]phenyl]-6-methyl-, monoammonium monosodium salt
| Molecular Formula | C26H26N5NaO9S3 |
|---|---|
| Molecular Weight | 671.08 g/mol |
| LogP | 1.45714 |
| Topological Polar Surface Area | 253.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 7 |
| Exact Mass | 671.07904 |
| Heavy Atoms | 44 |
| Complexity | 1200.0 |
Chemical Identifiers
| CAS Number | 72705-24-9 |
|---|---|
| SMILES | CC1=C(C2=C(C=C1)N=C(S2)C3=CC=C(C=C3)N=NC(C(=O)C)C(=O)NC4=C(C=C(C(=C4)C)S(=O)(=O)[O-])OC)S(=O)(=O)[O-].[NH4+].[Na+] |
| InChIKey | BPSOMXDZJFRMBW-UHFFFAOYSA-M |
Product Overview
RefChem:105819 (CAS 72705-24-9), with molecular formula C26H26N5NaO9S3 and molecular weight 671.08 g/mol. IUPAC: azanium;sodium;2-[4-[[1-(2-methoxy-5-methyl-4-sulfonatoanilino)-1,3-dioxobutan-2-yl]diazenyl]phenyl]-6-methyl-1,3-benzothiazole-7-sulfonate.
Chemical Property Profile of RefChem:105819
Property Insights of RefChem:105819
The XLogP value of 1.45714 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:105819. The TPSA of 253.0 Ų indicates high polarity, suggesting RefChem:105819 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:105819 has 2 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:105819?
The CAS number of RefChem:105819 is 72705-24-9.
What is the molecular formula of RefChem:105819?
The molecular formula of RefChem:105819 is C26H26N5NaO9S3.
What is the molecular weight of RefChem:105819?
The molecular weight of RefChem:105819 is 671.08 g/mol.
Where can I buy RefChem:105819?
You can request a quote for RefChem:105819 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:105819?
Yes, KEHONG BIO provides custom synthesis services for RefChem:105819 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.