RefChem:589327
TL;DR: RefChem:589327 (CAS 4988-30-1) is a chemical compound with molecular formula C21H15ClN8Na2O7S2 and molecular weight 636.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
disodium;3-[[2-acetamido-4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]phenyl]diazenyl]naphthalene-1,5-disulfonate
Also Known As: C.I. Reactive Yellow 3, disodium salt, 1,5-Naphthalenedisulfonic acid, 3-((2-(acetylamino)-4-((4-amino-6-chloro-1,3,5-triazin-2-yl)amino)phenyl)azo)-, disodium salt, 1,5-Naphthalenedisulfonic acid, 3-(2-(2-(acetylamino)-4-((4-amino-6-chloro-1,3,5-triazin-2-yl)amino)phenyl)diazenyl)-, sodium salt (1:2), disodium3-[[2- -4-[ amino]phenyl]azo]naphthalene-1,5-disulphonate, 1,5-Naphthalenedisulfonic acid, 3-[[2-(acetylamino)-4-[(4- amino-6-chloro-1,3,5-triazin-2-yl)amino]phenyl]azo ]-, disodium salt
| Molecular Formula | C21H15ClN8Na2O7S2 |
|---|---|
| Molecular Weight | 636.00 g/mol |
| LogP | -2.81 |
| Topological Polar Surface Area | 262.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 5 |
| Exact Mass | 635.9989 |
| Heavy Atoms | 41 |
| Complexity | 1090.0 |
Chemical Identifiers
| CAS Number | 4988-30-1 |
|---|---|
| SMILES | CC(=O)NC1=C(C=CC(=C1)NC2=NC(=NC(=N2)N)Cl)N=NC3=CC4=C(C=CC=C4S(=O)(=O)[O-])C(=C3)S(=O)(=O)[O-].[Na+].[Na+] |
| InChIKey | DIGXDNVEYLOEOT-UHFFFAOYSA-L |
Product Overview
RefChem:589327 (CAS 4988-30-1), with molecular formula C21H15ClN8Na2O7S2 and molecular weight 636.00 g/mol. IUPAC: disodium;3-[[2-acetamido-4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]phenyl]diazenyl]naphthalene-1,5-disulfonate.
Chemical Property Profile of RefChem:589327
Property Insights of RefChem:589327
The XLogP value of -2.81 indicates that RefChem:589327 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 262.0 Ų indicates high polarity, suggesting RefChem:589327 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:589327 has 3 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:589327?
The CAS number of RefChem:589327 is 4988-30-1.
What is the molecular formula of RefChem:589327?
The molecular formula of RefChem:589327 is C21H15ClN8Na2O7S2.
What is the molecular weight of RefChem:589327?
The molecular weight of RefChem:589327 is 636.00 g/mol.
Where can I buy RefChem:589327?
You can request a quote for RefChem:589327 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:589327?
Yes, KEHONG BIO provides custom synthesis services for RefChem:589327 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.