ADS-J1
TL;DR: ADS-J1 (CAS 70236-51-0) is a chemical compound with molecular formula C44H32N10Na4O16S4 and molecular weight 1176.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ADS-J1
tetrasodium;4-[[4-[[4-anilino-6-[[5-hydroxy-6-[(2-methoxy-5-sulfonatophenyl)diazenyl]-7-sulfonatonaphthalen-2-yl]amino]-1,3,5-triazin-2-yl]amino]-5-methoxy-2-methylphenyl]diazenyl]-5-hydroxynaphthalene-2,7-disulfonate
Also Known As: ADS-J1, ADS J1, ADS-J1, ADSJ1, ADS J1, 2,7-Naphthalenedisulfonic acid, 4-hydroxy-5-(2-(4-((4-((5-hydroxy-6-(2-(2-methoxy-5-sulfophenyl)diazenyl)-7-sulfo-2-naphthalenyl)amino)-6-(phenylamino)-1,3,5-triazin-2-yl)amino)-5-methoxy-2-methylphenyl)diazenyl)-, sodium salt (1:4), 2,7-Naphthalenedisulfonic acid 4-hydroxy-5-4-4-5-hydroxy-6-(2-methoxy-5-sulfophenyl)azo-7-sulfo-2-naphthalenylamino-6-(phe nylamino)-1,3,5-triazin-2-ylamino-5-methoxy-2-methylphenylazo (sodium salt)
| Molecular Formula | C44H32N10Na4O16S4 |
|---|---|
| Molecular Weight | 1176.05 g/mol |
| LogP | -4.39118 |
| Topological Polar Surface Area | 445.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 26 |
| Rotatable Bonds | 12 |
| Exact Mass | 1176.0471 |
| Heavy Atoms | 78 |
| Complexity | 2350.0 |
Chemical Identifiers
| CAS Number | 70236-51-0 |
|---|---|
| SMILES | CC1=CC(=C(C=C1N=NC2=C3C(=CC(=C2)S(=O)(=O)[O-])C=C(C=C3O)S(=O)(=O)[O-])OC)NC4=NC(=NC(=N4)NC5=CC6=CC(=C(C(=C6C=C5)O)N=NC7=C(C=CC(=C7)S(=O)(=O)[O-])OC)S(=O)(=O)[O-])NC8=CC=CC=C8.[Na+].[Na+].[Na+].[Na+] |
| InChIKey | ALPKFOALTCELEH-UHFFFAOYSA-J |
Product Overview
ADS-J1 (CAS 70236-51-0), with molecular formula C44H32N10Na4O16S4 and molecular weight 1176.05 g/mol. IUPAC: tetrasodium;4-[[4-[[4-anilino-6-[[5-hydroxy-6-[(2-methoxy-5-sulfonatophenyl)diazenyl]-7-sulfonatonaphthalen-2-yl]amino]-1,3,5-triazin-2-yl]amino]-5-methoxy-2-methylphenyl]diazenyl]-5-hydroxynaphthalene-2,7-disulfonate.
Chemical Property Profile of ADS-J1
Property Insights of ADS-J1
The XLogP value of -4.39118 indicates that ADS-J1 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 445.0 Ų indicates high polarity, suggesting ADS-J1 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, ADS-J1 has 5 hydrogen bond donor(s) and 26 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ADS-J1?
The CAS number of ADS-J1 is 70236-51-0.
What is the molecular formula of ADS-J1?
The molecular formula of ADS-J1 is C44H32N10Na4O16S4.
What is the molecular weight of ADS-J1?
The molecular weight of ADS-J1 is 1176.05 g/mol.
Where can I buy ADS-J1?
You can request a quote for ADS-J1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ADS-J1?
Yes, KEHONG BIO provides custom synthesis services for ADS-J1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.