C24H21ClN6O6S
TL;DR: C24H21ClN6O6S (CAS 85895-96-1) is a chemical compound with molecular formula C24H21ClN6O6S and molecular weight 556.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[1-[4-[(4-amino-3-methylbenzoyl)amino]phenyl]-3-methyl-5-oxo-4H-pyrazol-4-yl]diazenyl]-5-chloro-4-hydroxybenzenesulfonic acid
Also Known As: EINECS 288-772-7, 3-((1-(4-((4-Amino-3-methylbenzoyl)amino)phenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl)azo)-5-chloro-4-hydroxybenzenesulphonic acid, 3-((1-(4-(4-Amino-3-methylbenzamido)phenyl)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-yl)diazenyl)-5-chloro-4-hydroxybenzenesulfonic acid, (3Z)-3-[[1-[4-[(4-amino-3-methyl-benzoyl)amino]phenyl]-3-methyl-5-oxo-4H-pyrazol-4-yl]hydrazinylidene]-5-chloro-4-oxo-cyclohexa-1,5-diene-1-sulfonic acid, (3Z)-3-[[1-[4-[(4-amino-3-methylbenzoyl)amino]phenyl]-3-methyl-5-oxo-4H-pyrazol-4-yl]hydrazinylidene]-5-chloro-4-oxocyclohexa-1,5-diene-1-sulfonic acid
| Molecular Formula | C24H21ClN6O6S |
|---|---|
| Molecular Weight | 556.09 g/mol |
| LogP | 4.31022 |
| Topological Polar Surface Area | 187.11 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 556.0932 |
| Heavy Atoms | 38 |
| Complexity | 1622.0345 |
Chemical Identifiers
| CAS Number | 85895-96-1 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)C(=O)NC2=CC=C(C=C2)N3C(=O)C(C(=N3)C)N=NC4=C(C(=CC(=C4)S(=O)(=O)O)Cl)O)N |
Product Overview
C24H21ClN6O6S (CAS 85895-96-1), with molecular formula C24H21ClN6O6S and molecular weight 556.09 g/mol. IUPAC: 3-[[1-[4-[(4-amino-3-methylbenzoyl)amino]phenyl]-3-methyl-5-oxo-4H-pyrazol-4-yl]diazenyl]-5-chloro-4-hydroxybenzenesulfonic acid.
Chemical Property Profile of C24H21ClN6O6S
Property Insights of C24H21ClN6O6S
The XLogP value of 4.31022 indicates that C24H21ClN6O6S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 187.11 Ų indicates high polarity, suggesting C24H21ClN6O6S may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, C24H21ClN6O6S has 4 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of C24H21ClN6O6S?
The CAS number of C24H21ClN6O6S is 85895-96-1.
What is the molecular formula of C24H21ClN6O6S?
The molecular formula of C24H21ClN6O6S is C24H21ClN6O6S.
What is the molecular weight of C24H21ClN6O6S?
The molecular weight of C24H21ClN6O6S is 556.09 g/mol.
Where can I buy C24H21ClN6O6S?
You can request a quote for C24H21ClN6O6S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C24H21ClN6O6S?
Yes, KEHONG BIO provides custom synthesis services for C24H21ClN6O6S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.