Einecs 274-787-6
TL;DR: Einecs 274-787-6 (CAS 70703-46-7) is a chemical compound with molecular formula C22H27Cl3N6O6S and molecular weight 608.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[5-amino-1-(4-chlorophenyl)-3-methylpyrazol-4-yl]diazenyl]-2,5-dichlorobenzenesulfonic acid;2-[bis(2-hydroxyethyl)amino]ethanol
Also Known As: Benzenesulfonic acid, 4-[[5-amino-1-(4-chlorophenyl)-3-methyl-1H-pyrazol-4-yl]azo]-2,5-dichloro-, compd. with 2,2',2''-nitrilotris[ethanol] (1:1), 4-((5-Amino-1-(p-chlorophenyl)-3-methylpyrazol-4-yl)azo)-2,5-dichlorobenzenesulfonic acid, triethanolamine salt, Benzenesulfonic acid, 4-((5-amino-1-(4-chlorophenyl)-3-methyl-1H-pyrazol-4-yl)azo)-2,5-dichloro-, compd. with 2,2',2''-nitrilotris(ethanol) (1:1), Benzenesulfonic acid, 4-(2-(5-amino-1-(4-chlorophenyl)-3-methyl-1H-pyrazol-4-yl)diazenyl)-2,5-dichloro-, compd. with 2,2',2''-nitrilotris(ethanol) (1:1), 2-[bis(2-hydroxyethyl)amino]ethanol; 2,5-dichloro-4-[(2Z)-2-[1-(4-chlorophenyl)-5-imino-3-methylpyrazol-4-ylidene]hydrazinyl]benzenesulfonic acid
| Molecular Formula | C22H27Cl3N6O6S |
|---|---|
| Molecular Weight | 608.08 g/mol |
| LogP | 3.65052 |
| Topological Polar Surface Area | 195.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 10 |
| Exact Mass | 608.0778 |
| Heavy Atoms | 38 |
| Complexity | 727.0 |
Chemical Identifiers
| CAS Number | 70703-46-7 |
|---|---|
| SMILES | CC1=NN(C(=C1N=NC2=CC(=C(C=C2Cl)S(=O)(=O)O)Cl)N)C3=CC=C(C=C3)Cl.C(CO)N(CCO)CCO |
| InChIKey | UGYZBPKVTNPXBY-UHFFFAOYSA-N |
Product Overview
Einecs 274-787-6 (CAS 70703-46-7), with molecular formula C22H27Cl3N6O6S and molecular weight 608.08 g/mol. IUPAC: 4-[[5-amino-1-(4-chlorophenyl)-3-methylpyrazol-4-yl]diazenyl]-2,5-dichlorobenzenesulfonic acid;2-[bis(2-hydroxyethyl)amino]ethanol.
Chemical Property Profile of Einecs 274-787-6
Property Insights of Einecs 274-787-6
The XLogP value of 3.65052 indicates that Einecs 274-787-6 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 195.0 Ų indicates high polarity, suggesting Einecs 274-787-6 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Einecs 274-787-6 has 5 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Einecs 274-787-6?
The CAS number of Einecs 274-787-6 is 70703-46-7.
What is the molecular formula of Einecs 274-787-6?
The molecular formula of Einecs 274-787-6 is C22H27Cl3N6O6S.
What is the molecular weight of Einecs 274-787-6?
The molecular weight of Einecs 274-787-6 is 608.08 g/mol.
Where can I buy Einecs 274-787-6?
You can request a quote for Einecs 274-787-6 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Einecs 274-787-6?
Yes, KEHONG BIO provides custom synthesis services for Einecs 274-787-6 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.