Einecs 274-148-1
TL;DR: Einecs 274-148-1 (CAS 69847-36-5) is a chemical compound with molecular formula C18H12MnN2O6S and molecular weight 438.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
hydron;manganese(2+);4-[(4-methyl-2-sulfonatophenyl)diazenyl]-3-oxidonaphthalene-2-carboxylate
Also Known As: Hydrogen (3-hydroxy-4-((4-methyl-2-sulphophenyl)azo)naphthalene-2-carboxylato(3-))manganate(1-), Hydrogen [3-hydroxy-4-[(4-methyl-2-sulfophenyl)azo]naphthalene-2-carboxylato(3-)]manganate(1-), Hydrogen[3-hydroxy-4-[(4-methyl-2-sulfophenyl)azo]naphthalene-2-carboxylato(3-)]manganate(1-), hydron; manganese(2+); 4-[(4-methyl-2-sulfonatophenyl)diazenyl]-3-oxidonaphthalene-2-carboxylate, manganese(2+) hydrogen 4-[(e)-(4-methyl-2-sulfonatophenyl)diazenyl]-3-oxidonaphthalene-2-carboxylate(1:1:1)
| Molecular Formula | C18H12MnN2O6S |
|---|---|
| Molecular Weight | 438.98 g/mol |
| LogP | 2.01 |
| Topological Polar Surface Area | 153.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 2 |
| Exact Mass | 438.97964 |
| Heavy Atoms | 28 |
| Complexity | 657.0 |
Chemical Identifiers
| CAS Number | 69847-36-5 |
|---|---|
| SMILES | [H+].CC1=CC(=C(C=C1)N=NC2=C(C(=CC3=CC=CC=C32)C(=O)[O-])[O-])S(=O)(=O)[O-].[Mn+2] |
| InChIKey | YNTQMNBONRIZCJ-UHFFFAOYSA-L |
Product Overview
Einecs 274-148-1 (CAS 69847-36-5), with molecular formula C18H12MnN2O6S and molecular weight 438.98 g/mol. IUPAC: hydron;manganese(2+);4-[(4-methyl-2-sulfonatophenyl)diazenyl]-3-oxidonaphthalene-2-carboxylate.
Chemical Property Profile of Einecs 274-148-1
Property Insights of Einecs 274-148-1
The XLogP value of 2.01 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Einecs 274-148-1. The TPSA of 153.0 Ų indicates high polarity, suggesting Einecs 274-148-1 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Einecs 274-148-1 has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Einecs 274-148-1?
The CAS number of Einecs 274-148-1 is 69847-36-5.
What is the molecular formula of Einecs 274-148-1?
The molecular formula of Einecs 274-148-1 is C18H12MnN2O6S.
What is the molecular weight of Einecs 274-148-1?
The molecular weight of Einecs 274-148-1 is 438.98 g/mol.
Where can I buy Einecs 274-148-1?
You can request a quote for Einecs 274-148-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Einecs 274-148-1?
Yes, KEHONG BIO provides custom synthesis services for Einecs 274-148-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.