EINECS 253-285-0
TL;DR: EINECS 253-285-0 (CAS 36942-58-2) is a chemical compound with molecular formula C20H16N4O4S and molecular weight 408.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)diazenyl]naphthalene-1-sulfonic acid
Also Known As: EINECS 253-285-0, 2-[azo]naphthalene-1-sulphonicacid, 2-[ azo]naphthalene-1-sulphonicacid, 2-((4,5-Dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo)naphthalene-1-sulphonic acid, 2-[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)diazenyl]naphthalene-1-sulfonic acid
| Molecular Formula | C20H16N4O4S |
|---|---|
| Molecular Weight | 408.09 g/mol |
| LogP | 3.9615 |
| Topological Polar Surface Area | 111.76 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 408.08923 |
| Heavy Atoms | 29 |
| Complexity | 1270.1406 |
Chemical Identifiers
| CAS Number | 36942-58-2 |
|---|---|
| SMILES | CC1=NN(C(=O)C1N=NC2=C(C3=CC=CC=C3C=C2)S(=O)(=O)O)C4=CC=CC=C4 |
Product Overview
EINECS 253-285-0 (CAS 36942-58-2), with molecular formula C20H16N4O4S and molecular weight 408.09 g/mol. IUPAC: 2-[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)diazenyl]naphthalene-1-sulfonic acid.
Chemical Property Profile of EINECS 253-285-0
Property Insights of EINECS 253-285-0
The XLogP value of 3.9615 indicates that EINECS 253-285-0 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 111.76 Ų falls within the moderate polarity range, balancing permeability and solubility for EINECS 253-285-0. Following Lipinski's Rule of Five, EINECS 253-285-0 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of EINECS 253-285-0?
The CAS number of EINECS 253-285-0 is 36942-58-2.
What is the molecular formula of EINECS 253-285-0?
The molecular formula of EINECS 253-285-0 is C20H16N4O4S.
What is the molecular weight of EINECS 253-285-0?
The molecular weight of EINECS 253-285-0 is 408.09 g/mol.
Where can I buy EINECS 253-285-0?
You can request a quote for EINECS 253-285-0 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 253-285-0?
Yes, KEHONG BIO provides custom synthesis services for EINECS 253-285-0 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.