Einecs 276-167-0
TL;DR: Einecs 276-167-0 (CAS 71889-21-9) is a chemical compound with molecular formula C46H45CrN10O10S2 and molecular weight 1013.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
chromium(3+);hexane-1,6-diamine;hydron;bis(4-[(3-methyl-5-oxido-1-phenylpyrazol-4-yl)diazenyl]-3-oxidonaphthalene-1-sulfonate)
Also Known As: Chromate(3-), bis(4-((4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo)-3-hydroxy-1-naphthalenesulfonato(3-))-, trihydrogen, compd. with 1,6-hexanediamine (1:1), Chromate(3-), bis(4-(2-(4,5-dihydro-3-methyl-5-(oxo-kappaO)-1-phenyl-1H-pyrazol-4-yl)diazenyl-kappaN1)-3-(hydroxy-kappaO)-1-naphthalenesulfonato(3-))-, hydrogen, compd. with 1,6-hexanediamine (1:3:1), Chromate(3-), bis[4-[(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo]-3-hydroxy-1-naphthalenesulfonato(3-)]-, trihydrogen, compd. with 1,6-hexanediamine (1:1), Trihydrogen bis(4-((4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo)-3-hydroxynaphthalene-1-sulphonato(3-))chromate(3-), compound with hexane-1,6-diamine (1:1), chromium(3+); hexane-1,6-diamine; hydron; 4-[(3-methyl-5-oxido-1-phenylpyrazol-4-yl)diazenyl]-3-oxidonaphthalene-1-sulfonate
| Molecular Formula | C46H45CrN10O10S2 |
|---|---|
| Molecular Weight | 1013.22 g/mol |
| LogP | 6.40044 |
| Topological Polar Surface Area | 361.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 11 |
| Exact Mass | 1013.2167 |
| Heavy Atoms | 69 |
| Complexity | 741.0 |
Chemical Identifiers
| CAS Number | 71889-21-9 |
|---|---|
| SMILES | [H+].[H+].[H+].CC1=NN(C(=C1N=NC2=C(C=C(C3=CC=CC=C32)S(=O)(=O)[O-])[O-])[O-])C4=CC=CC=C4.CC1=NN(C(=C1N=NC2=C(C=C(C3=CC=CC=C32)S(=O)(=O)[O-])[O-])[O-])C4=CC=CC=C4.C(CCCN)CCN.[Cr+3] |
| InChIKey | NEFJIYWCWVLJDS-UHFFFAOYSA-K |
Product Overview
Einecs 276-167-0 (CAS 71889-21-9), with molecular formula C46H45CrN10O10S2 and molecular weight 1013.22 g/mol. IUPAC: chromium(3+);hexane-1,6-diamine;hydron;bis(4-[(3-methyl-5-oxido-1-phenylpyrazol-4-yl)diazenyl]-3-oxidonaphthalene-1-sulfonate).
Chemical Property Profile of Einecs 276-167-0
Property Insights of Einecs 276-167-0
The XLogP value of 6.40044 indicates that Einecs 276-167-0 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 361.0 Ų indicates high polarity, suggesting Einecs 276-167-0 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Einecs 276-167-0 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 276-167-0?
The CAS number of Einecs 276-167-0 is 71889-21-9.
What is the molecular formula of Einecs 276-167-0?
The molecular formula of Einecs 276-167-0 is C46H45CrN10O10S2.
What is the molecular weight of Einecs 276-167-0?
The molecular weight of Einecs 276-167-0 is 1013.22 g/mol.
Where can I buy Einecs 276-167-0?
You can request a quote for Einecs 276-167-0 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Einecs 276-167-0?
Yes, KEHONG BIO provides custom synthesis services for Einecs 276-167-0 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.