EINECS 287-128-2
TL;DR: EINECS 287-128-2 (CAS 85409-58-1) is a chemical compound with molecular formula C24H19N5O7S and molecular weight 521.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[3-[4-[(2-carboxyphenyl)diazenyl]-3-methyl-5-oxo-4H-pyrazol-1-yl]phenyl]sulfonylamino]benzoic acid
Also Known As: EINECS 287-128-2, 2-((1-(3-(((2-Carboxyphenyl)amino)sulphonyl)phenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazole-4-yl)azo)benzoic acid, 2-[[3-[4-[(2-carboxyphenyl)diazenyl]-3-methyl-5-oxo-4H-pyrazol-1-yl]phenyl]sulfonylamino]benzoic acid, 2-[[[1-[3-[[(2-Carboxyphenyl)amino]sulfonyl]phenyl]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol]-4-yl]azo]benzoic acid, 2-[[1-[3-[[ amino]sulphonyl]phenyl]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazole-4-yl]azo]benzoicacid
| Molecular Formula | C24H19N5O7S |
|---|---|
| Molecular Weight | 521.10 g/mol |
| LogP | 3.7588 |
| Topological Polar Surface Area | 178.16 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 521.1005 |
| Heavy Atoms | 37 |
| Complexity | 1583.557 |
Chemical Identifiers
| CAS Number | 85409-58-1 |
|---|---|
| SMILES | CC1=NN(C(=O)C1N=NC2=CC=CC=C2C(=O)O)C3=CC(=CC=C3)S(=O)(=O)NC4=CC=CC=C4C(=O)O |
Product Overview
EINECS 287-128-2 (CAS 85409-58-1), with molecular formula C24H19N5O7S and molecular weight 521.10 g/mol. IUPAC: 2-[[3-[4-[(2-carboxyphenyl)diazenyl]-3-methyl-5-oxo-4H-pyrazol-1-yl]phenyl]sulfonylamino]benzoic acid.
Chemical Property Profile of EINECS 287-128-2
Property Insights of EINECS 287-128-2
The XLogP value of 3.7588 indicates that EINECS 287-128-2 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 178.16 Ų indicates high polarity, suggesting EINECS 287-128-2 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, EINECS 287-128-2 has 3 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of EINECS 287-128-2?
The CAS number of EINECS 287-128-2 is 85409-58-1.
What is the molecular formula of EINECS 287-128-2?
The molecular formula of EINECS 287-128-2 is C24H19N5O7S.
What is the molecular weight of EINECS 287-128-2?
The molecular weight of EINECS 287-128-2 is 521.10 g/mol.
Where can I buy EINECS 287-128-2?
You can request a quote for EINECS 287-128-2 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 287-128-2?
Yes, KEHONG BIO provides custom synthesis services for EINECS 287-128-2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.