RefChem:417359
TL;DR: RefChem:417359 (CAS 68238-92-6) is a chemical compound with molecular formula C31H15ClF2N6Na4O14S4 and molecular weight 987.88 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tetrasodium;5-[[3-[(5-chloro-2,6-difluoropyrimidin-4-yl)amino]benzoyl]amino]-3-[(1,5-disulfonatonaphthalen-2-yl)diazenyl]-4-hydroxynaphthalene-2,7-disulfonate
Also Known As: 1,5-Naphthalenedisulfonic acid, 2-[[8-[[3-[(5-chloro-2,6-difluoro-4-pyrimidinyl)amino]benzoyl]amino]-1-hydroxy-3,6-disulfo-2-naphthalenyl]azo]-, tetrasodium salt, 1,5-Naphthalenedisulfonic acid, 2-((8-((3-((5-chloro-2,6-difluoro-4-pyrimidinyl)amino)benzoyl)amino)-1-hydroxy-3,6-disulfo-2-naphthalenyl)azo)-, tetrasodium salt, 1,5-Naphthalenedisulfonic acid, 2-(2-(8-((3-((5-chloro-2,6-difluoro-4-pyrimidinyl)amino)benzoyl)amino)-1-hydroxy-3,6-disulfo-2-naphthalenyl)diazenyl)-, sodium salt (1:4), 2-8-3-(5-chloro-2,6-difluoro-4-pyrimidinyl)aminobenzoylamino-1-hydroxy-3,6-disulphonato-2-naphthylazonaphthale ne-1,5-disulphonate (sodium salt), Tetrasodium 2-((8-((3-((5-chloro-2,6-difluoro-4-pyrimidinyl)amino)benzoyl)amino)-1-hydroxy-3,6-disulphonato-2-naphthyl)azo)naphthalene-1,5-disulphonate
| Molecular Formula | C31H15ClF2N6Na4O14S4 |
|---|---|
| Molecular Weight | 987.88 g/mol |
| LogP | -7.54 |
| Topological Polar Surface Area | 374.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 21 |
| Rotatable Bonds | 6 |
| Exact Mass | 987.8776 |
| Heavy Atoms | 62 |
| Complexity | 1930.0 |
Chemical Identifiers
| CAS Number | 68238-92-6 |
|---|---|
| SMILES | C1=CC(=CC(=C1)NC2=C(C(=NC(=N2)F)F)Cl)C(=O)NC3=C4C(=CC(=C3)S(=O)(=O)[O-])C=C(C(=C4O)N=NC5=C(C6=C(C=C5)C(=CC=C6)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+] |
| InChIKey | KFZGCQOLFVUWBZ-UHFFFAOYSA-J |
Product Overview
RefChem:417359 (CAS 68238-92-6), with molecular formula C31H15ClF2N6Na4O14S4 and molecular weight 987.88 g/mol. IUPAC: tetrasodium;5-[[3-[(5-chloro-2,6-difluoropyrimidin-4-yl)amino]benzoyl]amino]-3-[(1,5-disulfonatonaphthalen-2-yl)diazenyl]-4-hydroxynaphthalene-2,7-disulfonate.
Chemical Property Profile of RefChem:417359
Property Insights of RefChem:417359
The XLogP value of -7.54 indicates that RefChem:417359 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 374.0 Ų indicates high polarity, suggesting RefChem:417359 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:417359 has 3 hydrogen bond donor(s) and 21 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:417359?
The CAS number of RefChem:417359 is 68238-92-6.
What is the molecular formula of RefChem:417359?
The molecular formula of RefChem:417359 is C31H15ClF2N6Na4O14S4.
What is the molecular weight of RefChem:417359?
The molecular weight of RefChem:417359 is 987.88 g/mol.
Where can I buy RefChem:417359?
You can request a quote for RefChem:417359 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:417359?
Yes, KEHONG BIO provides custom synthesis services for RefChem:417359 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.