ADS-J1
TL;DR: ADS-J1 (CAS 83923-14-2) is a chemical compound with molecular formula C44H36N10O16S4 and molecular weight 1088.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ADS-J1
4-[[4-[[4-anilino-6-[[5-hydroxy-6-[(2-methoxy-5-sulfophenyl)diazenyl]-7-sulfonaphthalen-2-yl]amino]-1,3,5-triazin-2-yl]amino]-5-methoxy-2-methylphenyl]diazenyl]-5-hydroxynaphthalene-2,7-disulfonic acid
Also Known As: ADS-J1, ADS-J-1, J1.172.205I, 4-Hydroxy-5-(4-{4-[5-hydroxy-6-(2-methoxy-5-sulfophenylazo)-7-sulfonaphthalen-2-ylamino]-6-phenylamino-1,3,5-triazin-2-ylamino}-5-methoxy-2-methylphenylazo)naphthalene-2,7-disulfonic acid, 4-[(Z)-[4-[[4-anilino-6-[[5-hydroxy-6-(2-methoxy-5-sulfo-phenyl)azo-7-sulfo-2-naphthyl]amino]-1,3,5-triazin-2-yl]amino]-5-methoxy-2-methyl-phenyl]azo]-5-hydroxy-naphthalene-2,7-disulfonic acid
| Molecular Formula | C44H36N10O16S4 |
|---|---|
| Molecular Weight | 1088.12 g/mol |
| LogP | 6.2 |
| Topological Polar Surface Area | 434.0 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 26 |
| Rotatable Bonds | 16 |
| Exact Mass | 1088.1194 |
| Heavy Atoms | 74 |
| Complexity | 2400.0 |
Chemical Identifiers
| CAS Number | 83923-14-2 |
|---|---|
| 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 |
| InChIKey | WCUQJAMKDBWCOW-UHFFFAOYSA-N |
Product Overview
ADS-J1 (CAS 83923-14-2), with molecular formula C44H36N10O16S4 and molecular weight 1088.12 g/mol. IUPAC: 4-[[4-[[4-anilino-6-[[5-hydroxy-6-[(2-methoxy-5-sulfophenyl)diazenyl]-7-sulfonaphthalen-2-yl]amino]-1,3,5-triazin-2-yl]amino]-5-methoxy-2-methylphenyl]diazenyl]-5-hydroxynaphthalene-2,7-disulfonic acid.
Chemical Property Profile of ADS-J1
Property Insights of ADS-J1
The XLogP value of 6.2 indicates that ADS-J1 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 434.0 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 9 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 83923-14-2.
What is the molecular formula of ADS-J1?
The molecular formula of ADS-J1 is C44H36N10O16S4.
What is the molecular weight of ADS-J1?
The molecular weight of ADS-J1 is 1088.12 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.