RefChem:83526
TL;DR: RefChem:83526 (CAS 85631-77-2) is a chemical compound with molecular formula C27H19ClN7Na3O11S3 and molecular weight 816.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
trisodium;5-[[4-chloro-6-(N-methylanilino)-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[(4-methoxy-2-sulfonatophenyl)diazenyl]naphthalene-2,7-disulfonate
Also Known As: 2,7-Naphthalenedisulfonic acid, 5-((4-chloro-6-(methylphenylamino)-1,3,5-triazin-2-yl)amino)-4-hydroxy-3-((4-methoxy-2-sulfophenyl)azo)-, trisodium salt, 2,7-Naphthalenedisulfonic acid, 5-((4-chloro-6-(methylphenylamino)-1,3,5-triazin-2-yl)amino)-4-hydroxy-3-(2-(4-methoxy-2-sulfophenyl)diazenyl)-, sodium salt (1:3), 2,7-Naphthalenedisulfonic acid, 5-[[4-chloro-6-(methylphenylamino)-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[(4-methoxy-2-sulfophenyl)azo]- (sodium salt), 2,7-Naphthalenedisulfonic acid, 5-[[4-chloro-6-(methylphenylamino)-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[(4-methoxy-2-sulfophenyl)azo]-, trisodium salt, 2,7-Naphthalenedisulfonic acid, 5-[[4-chloro-6-(methylphenylamino)-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[2-(4-methoxy-2-sulfophenyl)diazenyl]-, sodium salt (1:3)
| Molecular Formula | C27H19ClN7Na3O11S3 |
|---|---|
| Molecular Weight | 816.97 g/mol |
| LogP | -4.9564 |
| Topological Polar Surface Area | 305.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 7 |
| Exact Mass | 816.9686 |
| Heavy Atoms | 52 |
| Complexity | 1450.0 |
Chemical Identifiers
| CAS Number | 85631-77-2 |
|---|---|
| SMILES | CN(C1=CC=CC=C1)C2=NC(=NC(=N2)NC3=C4C(=CC(=C3)S(=O)(=O)[O-])C=C(C(=C4O)N=NC5=C(C=C(C=C5)OC)S(=O)(=O)[O-])S(=O)(=O)[O-])Cl.[Na+].[Na+].[Na+] |
| InChIKey | ROOXOSRUUHTHSX-UHFFFAOYSA-K |
Product Overview
RefChem:83526 (CAS 85631-77-2), with molecular formula C27H19ClN7Na3O11S3 and molecular weight 816.97 g/mol. IUPAC: trisodium;5-[[4-chloro-6-(N-methylanilino)-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[(4-methoxy-2-sulfonatophenyl)diazenyl]naphthalene-2,7-disulfonate.
Chemical Property Profile of RefChem:83526
Property Insights of RefChem:83526
The XLogP value of -4.9564 indicates that RefChem:83526 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 305.0 Ų indicates high polarity, suggesting RefChem:83526 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:83526 has 2 hydrogen bond donor(s) and 18 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:83526?
The CAS number of RefChem:83526 is 85631-77-2.
What is the molecular formula of RefChem:83526?
The molecular formula of RefChem:83526 is C27H19ClN7Na3O11S3.
What is the molecular weight of RefChem:83526?
The molecular weight of RefChem:83526 is 816.97 g/mol.
Where can I buy RefChem:83526?
You can request a quote for RefChem:83526 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:83526?
Yes, KEHONG BIO provides custom synthesis services for RefChem:83526 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.