EINECS 276-754-1
TL;DR: EINECS 276-754-1 (CAS 72639-36-2) is a chemical compound with molecular formula C22H15ClK2N5NaO12S4 and molecular weight 804.85 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dipotassium;sodium;5-[(5-chloro-6-methyl-2-methylsulfonylpyrimidin-4-yl)amino]-4-hydroxy-3-[(2-sulfonatophenyl)diazenyl]naphthalene-2,7-disulfonate
Also Known As: 2,7-Naphthalenedisulfonic acid, 5-((5-chloro-6-methyl-2-(methylsulfonyl)-4-pyrimidinyl)amino)-4-hydroxy-3-((2-sulfophenyl)azo)-, potassium sodium salt, 2,7-Naphthalenedisulfonic acid, 5-((5-chloro-6-methyl-2-(methylsulfonyl)-4-pyrimidinyl)amino)-4-hydroxy-3-(2-(2-sulfophenyl)diazenyl)-, potassium sodium salt (1:?:?), 4-((5-Chloro-4-methyl-2-(methylsulfonyl)-6-pyrimidyl)amino)-5-hydroxy-6-((2-sulfophenyl)azo)-2,7-naphthalenedisulfonic acid, sodium, potassium salt, 2,7-Naphthalenedisulfonic acid, 5-[[5-chloro-6-methyl-2-(methylsulfonyl)-4-pyrimidinyl]amino]-4-hydroxy-3-[(2-sulfophenyl)azo]-, potassium sodium salt, 5-((5-Chloro-6-methyl-2-(methylsulphonyl)-4-pyrimidinyl)amino)-4-hydroxy-3-((2-sulphophenyl)azo)naphthalene-2,7-disulphonic acid, potassium sodium salt
| Molecular Formula | C22H15ClK2N5NaO12S4 |
|---|---|
| Molecular Weight | 804.85 g/mol |
| LogP | -6.41598 |
| Topological Polar Surface Area | 322.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 17 |
| Rotatable Bonds | 5 |
| Exact Mass | 804.84607 |
| Heavy Atoms | 47 |
| Complexity | 1470.0 |
Chemical Identifiers
| CAS Number | 72639-36-2 |
|---|---|
| SMILES | CC1=C(C(=NC(=N1)S(=O)(=O)C)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+].[K+].[K+] |
| InChIKey | SHIQHPNSCAWLFG-UHFFFAOYSA-K |
Product Overview
EINECS 276-754-1 (CAS 72639-36-2), with molecular formula C22H15ClK2N5NaO12S4 and molecular weight 804.85 g/mol. IUPAC: dipotassium;sodium;5-[(5-chloro-6-methyl-2-methylsulfonylpyrimidin-4-yl)amino]-4-hydroxy-3-[(2-sulfonatophenyl)diazenyl]naphthalene-2,7-disulfonate.
Chemical Property Profile of EINECS 276-754-1
Property Insights of EINECS 276-754-1
The XLogP value of -6.41598 indicates that EINECS 276-754-1 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 322.0 Ų indicates high polarity, suggesting EINECS 276-754-1 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, EINECS 276-754-1 has 2 hydrogen bond donor(s) and 17 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of EINECS 276-754-1?
The CAS number of EINECS 276-754-1 is 72639-36-2.
What is the molecular formula of EINECS 276-754-1?
The molecular formula of EINECS 276-754-1 is C22H15ClK2N5NaO12S4.
What is the molecular weight of EINECS 276-754-1?
The molecular weight of EINECS 276-754-1 is 804.85 g/mol.
Where can I buy EINECS 276-754-1?
You can request a quote for EINECS 276-754-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 276-754-1?
Yes, KEHONG BIO provides custom synthesis services for EINECS 276-754-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.