EINECS 280-433-1
TL;DR: EINECS 280-433-1 (CAS 83400-17-3) is a chemical compound with molecular formula C21H12ClFN5Na3O10S3 and molecular weight 712.91 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
trisodium;5-[(5-chloro-2-fluoro-6-methylpyrimidin-4-yl)amino]-4-hydroxy-3-[(2-sulfonatophenyl)diazenyl]naphthalene-2,7-disulfonate
Also Known As: 5-[(5-chloro-2-fluoro-6-methyl-4-pyrimidinyl)amino]-4-hydroxy-3-[(2-sulphophenyl)azo]naphthalene-2,7-disulphonic acid, sodium salt, 2,7-Naphthalenedisulfonic acid, 5-((5-chloro-2-fluoro-6-methyl-4-pyrimidinyl)amino)-4-hydroxy-3-((2-sulfophenyl)azo)-, sodium salt, 2,7-Naphthalenedisulfonic acid, 5-((5-chloro-2-fluoro-6-methyl-4-pyrimidinyl)amino)-4-hydroxy-3-(2-(2-sulfophenyl)diazenyl)-, sodium salt (1:?), 5-((5-Chloro-2-fluoro-6-methyl-4-pyrimidinyl)amino)-4-hydroxy-3-((2-sulphophenyl)azo)naphthalene-2,7-disulphonic acid, sodium salt, trisodium,(3Z)-5-[(5-chloro-2-fluoro-6-methylpyrimidin-4-yl)amino]-4-oxo-3-[(2-sulfonatophenyl)hydrazinylidene]naphthalene-2,7-disulfonate
| Molecular Formula | C21H12ClFN5Na3O10S3 |
|---|---|
| Molecular Weight | 712.91 g/mol |
| LogP | -5.68038 |
| Topological Polar Surface Area | 280.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 4 |
| Exact Mass | 712.9112 |
| Heavy Atoms | 44 |
| Complexity | 1250.0 |
Chemical Identifiers
| CAS Number | 83400-17-3 |
|---|---|
| SMILES | CC1=C(C(=NC(=N1)F)NC2=C3C(=CC(=C2)S(=O)(=O)[O-])C=C(C(=C3O)N=NC4=CC=CC=C4S(=O)(=O)[O-])S(=O)(=O)[O-])Cl.[Na+].[Na+].[Na+] |
| InChIKey | DVBOLHWQSSERTH-UHFFFAOYSA-K |
Product Overview
EINECS 280-433-1 (CAS 83400-17-3), with molecular formula C21H12ClFN5Na3O10S3 and molecular weight 712.91 g/mol. IUPAC: trisodium;5-[(5-chloro-2-fluoro-6-methylpyrimidin-4-yl)amino]-4-hydroxy-3-[(2-sulfonatophenyl)diazenyl]naphthalene-2,7-disulfonate.
Chemical Property Profile of EINECS 280-433-1
Property Insights of EINECS 280-433-1
The XLogP value of -5.68038 indicates that EINECS 280-433-1 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 280.0 Ų indicates high polarity, suggesting EINECS 280-433-1 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, EINECS 280-433-1 has 2 hydrogen bond donor(s) and 16 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of EINECS 280-433-1?
The CAS number of EINECS 280-433-1 is 83400-17-3.
What is the molecular formula of EINECS 280-433-1?
The molecular formula of EINECS 280-433-1 is C21H12ClFN5Na3O10S3.
What is the molecular weight of EINECS 280-433-1?
The molecular weight of EINECS 280-433-1 is 712.91 g/mol.
Where can I buy EINECS 280-433-1?
You can request a quote for EINECS 280-433-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 280-433-1?
Yes, KEHONG BIO provides custom synthesis services for EINECS 280-433-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.