Einecs 276-175-4
TL;DR: Einecs 276-175-4 (CAS 71902-28-8) is a chemical compound with molecular formula C38H41Cl2CrN12O8S2 and molecular weight 979.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(4-[(5-chloro-2-oxido-4-sulfamoylphenyl)diazenyl]-3-methyl-1-phenylpyrazol-5-olate);chromium(3+);hexane-1,6-diamine;hydron
Also Known As: Chromate(1-), bis(2-chloro-4-(2-(4,5-dihydro-3-methyl-5-(oxo-kappaO)-1-phenyl-1H-pyrazol-4-yl)diazenyl-kappaN1)-5-(hydroxy-kappaO)benzenesulfonamidato(2-))-, hydrogen, compd. with 1,6-hexanediamine (1:1:1), Chromate(1-), bis[2-chloro-4-[(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo]-5-hydroxybenzenesulfonamidato(2-)]-, hydrogen, compd. with 1,6-hexanediamine (1:1), 4-[(5-chloro-2-oxido-4-sulfamoylphenyl)diazenyl]-5-methyl-2-phenylpyrazol-3-olate; chromium(3+); hexane-1,6-diamine; hydron, Chromate(1-), bis(2-chloro-4-((4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo)-5-hydroxybenzenesulfonamidato(2-))-, hydrogen, compd. with 1,6-hexanediamine (1:1), Chromate(1-), bis(2-chloro-4-((4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo)-5-hydroxybenzenesulfonamidato(2-))-, hydrogen, compd. with1,6-hexanediamine (1:1)
| Molecular Formula | C38H41Cl2CrN12O8S2 |
|---|---|
| Molecular Weight | 979.14 g/mol |
| LogP | 4.66244 |
| Topological Polar Surface Area | 366.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 13 |
| Exact Mass | 979.1394 |
| Heavy Atoms | 63 |
| Complexity | 671.0 |
Chemical Identifiers
| CAS Number | 71902-28-8 |
|---|---|
| SMILES | [H+].CC1=NN(C(=C1N=NC2=CC(=C(C=C2[O-])S(=O)(=O)N)Cl)[O-])C3=CC=CC=C3.CC1=NN(C(=C1N=NC2=CC(=C(C=C2[O-])S(=O)(=O)N)Cl)[O-])C3=CC=CC=C3.C(CCCN)CCN.[Cr+3] |
| InChIKey | LTHOOJAWTYPFMK-UHFFFAOYSA-K |
Product Overview
Einecs 276-175-4 (CAS 71902-28-8), with molecular formula C38H41Cl2CrN12O8S2 and molecular weight 979.14 g/mol. IUPAC: bis(4-[(5-chloro-2-oxido-4-sulfamoylphenyl)diazenyl]-3-methyl-1-phenylpyrazol-5-olate);chromium(3+);hexane-1,6-diamine;hydron.
Chemical Property Profile of Einecs 276-175-4
Property Insights of Einecs 276-175-4
The XLogP value of 4.66244 indicates that Einecs 276-175-4 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 366.0 Ų indicates high polarity, suggesting Einecs 276-175-4 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Einecs 276-175-4 has 5 hydrogen bond donor(s) and 18 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Einecs 276-175-4?
The CAS number of Einecs 276-175-4 is 71902-28-8.
What is the molecular formula of Einecs 276-175-4?
The molecular formula of Einecs 276-175-4 is C38H41Cl2CrN12O8S2.
What is the molecular weight of Einecs 276-175-4?
The molecular weight of Einecs 276-175-4 is 979.14 g/mol.
Where can I buy Einecs 276-175-4?
You can request a quote for Einecs 276-175-4 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Einecs 276-175-4?
Yes, KEHONG BIO provides custom synthesis services for Einecs 276-175-4 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.