EINECS 286-346-5
TL;DR: EINECS 286-346-5 (CAS 85213-60-1) is a chemical compound with molecular formula C18H16Cl2N8O9S2 and molecular weight 621.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(5-carbamoyl-1-ethyl-6-hydroxy-4-methyl-2-oxo-3-pyridinyl)diazenyl]-6-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]benzene-1,3-disulfonic acid
Also Known As: 4-((5-(Aminocarbonyl)-1-ethyl-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-3-pyridyl)azo)-6-((4,6-dichloro-1,3,5-triazin-2-yl)amino)benzene-1,3-disulphonic acid, 1,3-Benzenedisulfonic acid, 4-[[5-(aminocarbonyl)-1-ethyl-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-3-pyridinyl]azo]-6-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-, 1,3-Benzenedisulfonicacid,4-[2-[5-(aminocarbonyl)-1-ethyl-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-3-pyridinyl]diazenyl]-6-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-, 4-(4,6-Dichloro-1,3,5-triazine-2-ylamino)-6-(1-ethyl-2-hydroxy-4-methyl-5-carbamoyl-6-oxo-1,6-dihydropyridine-3-ylazo)-1,3-benzenedisulfonic acid, 4-[(2E)-2-(5-carbamoyl-1-ethyl-4-methyl-2,6-dioxopyridin-3-ylidene)hydrazinyl]-6-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]benzene-1,3-disulfonic acid
| Molecular Formula | C18H16Cl2N8O9S2 |
|---|---|
| Molecular Weight | 621.99 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 285.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 8 |
| Exact Mass | 621.9859 |
| Heavy Atoms | 39 |
| Complexity | 1300.0 |
Chemical Identifiers
| CAS Number | 85213-60-1 |
|---|---|
| SMILES | CCN1C(=C(C(=C(C1=O)N=NC2=C(C=C(C(=C2)NC3=NC(=NC(=N3)Cl)Cl)S(=O)(=O)O)S(=O)(=O)O)C)C(=O)N)O |
| InChIKey | DJFRYVBMXYGMAV-UHFFFAOYSA-N |
Product Overview
EINECS 286-346-5 (CAS 85213-60-1), with molecular formula C18H16Cl2N8O9S2 and molecular weight 621.99 g/mol. IUPAC: 4-[(5-carbamoyl-1-ethyl-6-hydroxy-4-methyl-2-oxo-3-pyridinyl)diazenyl]-6-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]benzene-1,3-disulfonic acid.
Chemical Property Profile of EINECS 286-346-5
Property Insights of EINECS 286-346-5
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for EINECS 286-346-5. The TPSA of 285.0 Ų indicates high polarity, suggesting EINECS 286-346-5 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, EINECS 286-346-5 has 5 hydrogen bond donor(s) and 15 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of EINECS 286-346-5?
The CAS number of EINECS 286-346-5 is 85213-60-1.
What is the molecular formula of EINECS 286-346-5?
The molecular formula of EINECS 286-346-5 is C18H16Cl2N8O9S2.
What is the molecular weight of EINECS 286-346-5?
The molecular weight of EINECS 286-346-5 is 621.99 g/mol.
Where can I buy EINECS 286-346-5?
You can request a quote for EINECS 286-346-5 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 286-346-5?
Yes, KEHONG BIO provides custom synthesis services for EINECS 286-346-5 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.