RefChem:446315
TL;DR: RefChem:446315 (CAS 71033-05-1) is a chemical compound with molecular formula C31H21Cl2N11Na4O14S4 and molecular weight 1060.91 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tetrasodium;5-[[4-chloro-6-[3-[(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]-4-sulfonatoanilino]-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[(2-sulfonatophenyl)diazenyl]naphthalene-2,7-disulfonate
Also Known As: 2,7-Naphthalenedisulfonic acid, 5-((4-chloro-6-((3-((4-chloro-6-(1-methylethoxy)-1,3,5-triazin-2-yl)amino)-4-sulfophenyl)amino)-1,3,5-triazin-2-yl)amino)-4-hydroxy-3-(2-(2-sulfophenyl)diazenyl)-, sodium salt (1:4), 2,7-Naphthalenedisulfonic acid, 5-((4-chloro-6-((3-((4-chloro-6-(1-methylethoxy)-1,3,5-triazin-2-yl)amino)-4-sulfophenyl)amino)-1,3,5-triazin-2-yl)amino)-4-hydroxy-3-((2-sulfophenyl)azo)-, tetrasodium salt, 2,7-Naphthalenedisulfonic acid, 5-[[4-chloro-6-[[3-[[4-chloro-6-(1-methylethoxy)-1,3,5-triazin-2-yl]amino]-4-sulfophenyl]amino]-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[2-(2-sulfophenyl)diazenyl]-, sodium salt (1:4), 5-((4-Chloro-6-((3-((4-chloro-6-(1-methylethoxy)-1,3,5-triazin-2-yl)amino)-4-sulfophenyl)amino)-1,3,5-triazin-2-yl)amino)-4-hydroxy-3-((2-sulfophenyl)azo)-2,7-naphthalenedisulfonic acid, tetrasodium salt, 5-[[4-Chloro-6-[[3-[[4-chloro-6-(1-methylethoxy)-1,3,5-triazin-2-yl]amino]-4-sulfophenyl]amino]-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[2-(2-sulfophenyl)diazenyl]-2,7-naphthalenedisulfonic acid sodium (1:4)
| Molecular Formula | C31H21Cl2N11Na4O14S4 |
|---|---|
| Molecular Weight | 1060.91 g/mol |
| LogP | -7.712 |
| Topological Polar Surface Area | 430.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 25 |
| Rotatable Bonds | 10 |
| Exact Mass | 1060.912 |
| Heavy Atoms | 66 |
| Complexity | 1960.0 |
Chemical Identifiers
| CAS Number | 71033-05-1 |
|---|---|
| SMILES | CC(C)OC1=NC(=NC(=N1)NC2=C(C=CC(=C2)NC3=NC(=NC(=N3)Cl)NC4=C5C(=CC(=C4)S(=O)(=O)[O-])C=C(C(=C5O)N=NC6=CC=CC=C6S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])Cl.[Na+].[Na+].[Na+].[Na+] |
| InChIKey | VGOGLQIGOHIOLO-UHFFFAOYSA-J |
Product Overview
RefChem:446315 (CAS 71033-05-1), with molecular formula C31H21Cl2N11Na4O14S4 and molecular weight 1060.91 g/mol. IUPAC: tetrasodium;5-[[4-chloro-6-[3-[(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]-4-sulfonatoanilino]-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[(2-sulfonatophenyl)diazenyl]naphthalene-2,7-disulfonate.
Chemical Property Profile of RefChem:446315
Property Insights of RefChem:446315
The XLogP value of -7.712 indicates that RefChem:446315 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 430.0 Ų indicates high polarity, suggesting RefChem:446315 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:446315 has 4 hydrogen bond donor(s) and 25 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:446315?
The CAS number of RefChem:446315 is 71033-05-1.
What is the molecular formula of RefChem:446315?
The molecular formula of RefChem:446315 is C31H21Cl2N11Na4O14S4.
What is the molecular weight of RefChem:446315?
The molecular weight of RefChem:446315 is 1060.91 g/mol.
Where can I buy RefChem:446315?
You can request a quote for RefChem:446315 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:446315?
Yes, KEHONG BIO provides custom synthesis services for RefChem:446315 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.