Direct Yellow 118
TL;DR: Direct Yellow 118 (CAS 67969-87-3) is a chemical compound with molecular formula C31H23N6Na3O11S3 and molecular weight 820.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
trisodium;7-[[4-[[2-methoxy-4-[(3-sulfonatophenyl)diazenyl]phenyl]carbamoylamino]-2-methylphenyl]diazenyl]naphthalene-1,3-disulfonate
Also Known As: Direct Yellow 118, 1,3-Naphthalenedisulfonic acid, 7-((4-((((2-methoxy-4-((3-sulfophenyl)azo)phenyl)amino)carbonyl)amino)-2-methylphenyl)azo)-, trisodium salt, 1,3-Naphthalenedisulfonic acid, 7-(2-(4-((((2-methoxy-4-(2-(3-sulfophenyl)diazenyl)phenyl)amino)carbonyl)amino)-2-methylphenyl)diazenyl)-, sodium salt (1:3), trisodium 7-[(e)-{4-[({2-methoxy-4-[(e)-(3-sulfonatophenyl)diazenyl]phenyl}carbamoyl)amino]-2-methylphenyl}diazenyl]naphthalene-1,3-disulfonate, 1,3-Naphthalenedisulfonic acid, 7-[[4-[[[[2-methoxy-4-[(3-sulfophenyl)azo]phenyl]amino]carbonyl]amino]-2-methylphenyl]azo]-, trisodium salt
| Molecular Formula | C31H23N6Na3O11S3 |
|---|---|
| Molecular Weight | 820.03 g/mol |
| LogP | -2.64 |
| Topological Polar Surface Area | 297.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 7 |
| Exact Mass | 820.028 |
| Heavy Atoms | 54 |
| Complexity | 1560.0 |
Chemical Identifiers
| CAS Number | 67969-87-3 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)NC(=O)NC2=C(C=C(C=C2)N=NC3=CC(=CC=C3)S(=O)(=O)[O-])OC)N=NC4=CC5=C(C=C(C=C5C=C4)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+] |
| InChIKey | FWLOBTCGBAFLDZ-UHFFFAOYSA-K |
Product Overview
Direct Yellow 118 (CAS 67969-87-3), with molecular formula C31H23N6Na3O11S3 and molecular weight 820.03 g/mol. IUPAC: trisodium;7-[[4-[[2-methoxy-4-[(3-sulfonatophenyl)diazenyl]phenyl]carbamoylamino]-2-methylphenyl]diazenyl]naphthalene-1,3-disulfonate.
Chemical Property Profile of Direct Yellow 118
Property Insights of Direct Yellow 118
The XLogP value of -2.64 indicates that Direct Yellow 118 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 297.0 Ų indicates high polarity, suggesting Direct Yellow 118 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Direct Yellow 118 has 2 hydrogen bond donor(s) and 15 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Direct Yellow 118?
The CAS number of Direct Yellow 118 is 67969-87-3.
What is the molecular formula of Direct Yellow 118?
The molecular formula of Direct Yellow 118 is C31H23N6Na3O11S3.
What is the molecular weight of Direct Yellow 118?
The molecular weight of Direct Yellow 118 is 820.03 g/mol.
Where can I buy Direct Yellow 118?
You can request a quote for Direct Yellow 118 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Direct Yellow 118?
Yes, KEHONG BIO provides custom synthesis services for Direct Yellow 118 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.