EINECS 285-722-6
TL;DR: EINECS 285-722-6 (CAS 85136-00-1) is a chemical compound with molecular formula C20H15N5O11S2 and molecular weight 565.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-hydroxy-7-[4-[(2-hydroxy-3-nitro-5-sulfophenyl)diazenyl]-3-methyl-5-oxo-4H-pyrazol-1-yl]naphthalene-2-sulfonic acid
Also Known As: EINECS 285-722-6, 7-(4,5-Dihydro-4-((2-hydroxy-3-nitro-5-sulphophenyl)azo)-3-methyl-5-oxo-1H-pyrazol-1-yl)-4-hydroxynaphthalene-2-sulphonic acid, 2-Naphthalenesulfonicacid,7-[4,5-dihydro-4-[2-(2-hydroxy-3-nitro-5-sulfophenyl)diazenyl]-3-methyl-5-oxo-1H-pyrazol-1-yl]-4-hydroxy-, 4-hydroxy-7-[3-methyl-4-[(2Z)-2-(5-nitro-6-oxo-3-sulfocyclohexa-2,4-dien-1-ylidene)hydrazinyl]-5-oxo-4H-pyrazol-1-yl]naphthalene-2-sulfonic acid, 4-hydroxy-7-{4-[2-(2-hydroxy-3-nitro-5-sulfophenyl)diazen-1-yl]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}naphthalene-2-sulfonic acid
| Molecular Formula | C20H15N5O11S2 |
|---|---|
| Molecular Weight | 565.02 g/mol |
| LogP | 2.5276 |
| Topological Polar Surface Area | 249.73 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 6 |
| Exact Mass | 565.02094 |
| Heavy Atoms | 38 |
| Complexity | 1818.4895 |
Chemical Identifiers
| CAS Number | 85136-00-1 |
|---|---|
| SMILES | CC1=NN(C(=O)C1N=NC2=C(C(=CC(=C2)S(=O)(=O)O)[N+](=O)[O-])O)C3=CC4=CC(=CC(=C4C=C3)O)S(=O)(=O)O |
Product Overview
EINECS 285-722-6 (CAS 85136-00-1), with molecular formula C20H15N5O11S2 and molecular weight 565.02 g/mol. IUPAC: 4-hydroxy-7-[4-[(2-hydroxy-3-nitro-5-sulfophenyl)diazenyl]-3-methyl-5-oxo-4H-pyrazol-1-yl]naphthalene-2-sulfonic acid.
Chemical Property Profile of EINECS 285-722-6
Property Insights of EINECS 285-722-6
The XLogP value of 2.5276 suggests moderate lipophilicity, balancing water solubility and membrane permeability for EINECS 285-722-6. The TPSA of 249.73 Ų indicates high polarity, suggesting EINECS 285-722-6 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, EINECS 285-722-6 has 4 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 EINECS 285-722-6?
The CAS number of EINECS 285-722-6 is 85136-00-1.
What is the molecular formula of EINECS 285-722-6?
The molecular formula of EINECS 285-722-6 is C20H15N5O11S2.
What is the molecular weight of EINECS 285-722-6?
The molecular weight of EINECS 285-722-6 is 565.02 g/mol.
Where can I buy EINECS 285-722-6?
You can request a quote for EINECS 285-722-6 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 285-722-6?
Yes, KEHONG BIO provides custom synthesis services for EINECS 285-722-6 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.