RefChem:88491
TL;DR: RefChem:88491 (CAS 68214-67-5) is a chemical compound with molecular formula C22H14Cl3N5Na2O7S2 and molecular weight 674.92 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
disodium;3-[(2,5-dimethyl-4-sulfonatophenyl)diazenyl]-4-hydroxy-7-[(2,5,6-trichloropyrimidin-4-yl)amino]naphthalene-2-sulfonate
Also Known As: 2-Naphthalenesulfonic acid, 3-((2,5-dimethyl-4-sulfophenyl)azo)-4-hydroxy-7-((2,5,6-trichloro-4-pyrimidinyl)amino)-, disodium salt, 2-Naphthalenesulfonic acid, 3-(2-(2,5-dimethyl-4-sulfophenyl)diazenyl)-4-hydroxy-7-((2,5,6-trichloro-4-pyrimidinyl)amino)-, sodium salt (1:2), 2-Naphthalenesulfonic acid, 4-hydroxy-3-((2,5-dimethyl-4-sulfophenyl)azo)-7-((2,5,6-trichloro-4-pyrimidinyl)amino)-, disodium salt, 3-[ azo]-4-hydroxy-7-[ amino]-2-naphthalenesulfonicaciddisodiumsalt, 2-Naphthalenesulfonic acid, 3-[(2,5-dimethyl-4-sulfophenyl)azo]-4-hydroxy-7-[(2,5,6-trichloro-4-pyrimidinyl)amino]-, disodium salt
| Molecular Formula | C22H14Cl3N5Na2O7S2 |
|---|---|
| Molecular Weight | 674.92 g/mol |
| LogP | -0.11 |
| Topological Polar Surface Area | 214.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 4 |
| Exact Mass | 674.91956 |
| Heavy Atoms | 41 |
| Complexity | 1080.0 |
Chemical Identifiers
| CAS Number | 68214-67-5 |
|---|---|
| SMILES | CC1=CC(=C(C=C1S(=O)(=O)[O-])C)N=NC2=C(C=C3C=C(C=CC3=C2O)NC4=C(C(=NC(=N4)Cl)Cl)Cl)S(=O)(=O)[O-].[Na+].[Na+] |
| InChIKey | IDPLWHAVNAVJHV-UHFFFAOYSA-L |
Product Overview
RefChem:88491 (CAS 68214-67-5), with molecular formula C22H14Cl3N5Na2O7S2 and molecular weight 674.92 g/mol. IUPAC: disodium;3-[(2,5-dimethyl-4-sulfonatophenyl)diazenyl]-4-hydroxy-7-[(2,5,6-trichloropyrimidin-4-yl)amino]naphthalene-2-sulfonate.
Chemical Property Profile of RefChem:88491
Property Insights of RefChem:88491
The XLogP value of -0.11 indicates that RefChem:88491 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 214.0 Ų indicates high polarity, suggesting RefChem:88491 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:88491 has 2 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:88491?
The CAS number of RefChem:88491 is 68214-67-5.
What is the molecular formula of RefChem:88491?
The molecular formula of RefChem:88491 is C22H14Cl3N5Na2O7S2.
What is the molecular weight of RefChem:88491?
The molecular weight of RefChem:88491 is 674.92 g/mol.
Where can I buy RefChem:88491?
You can request a quote for RefChem:88491 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:88491?
Yes, KEHONG BIO provides custom synthesis services for RefChem:88491 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.