Einecs 257-348-3
TL;DR: Einecs 257-348-3 (CAS 51689-20-4) is a chemical compound with molecular formula C20H23AlN2O6S3 and molecular weight 510.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
aluminum;(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methanesulfonate;bis(1-oxidopyridine-2-thione)
Also Known As: (7,7-Dimethyl-2-oxobicyclo(2.2.1)heptane-1-methanesulphonato-O1)bis(1-hydroxy-1H-pyridine-2-thionato-O,S)aluminium, aluminum(7,7-dimethyl-2-oxobicyclo[2.2.1]hept-1-yl)methanesulfonate 2-thioxopyridin-1(2h)-olate(1:1:2), Aluminum, (7,7-dimethyl-2-oxobicyclo(2.2.1)heptane-1-methanesulfonato-O1)bis(1-hydroxy-2(1H)-pyridinethionato-O,S)-, aluminum; (7,7-dimethyl-3-oxo-4-bicyclo[2.2.1]heptanyl)methanesulfonate; 1-oxidopyridine-2-thione, EINECS 257-348-3
| Molecular Formula | C20H23AlN2O6S3 |
|---|---|
| Molecular Weight | 510.05 g/mol |
| LogP | 3.67 |
| Topological Polar Surface Area | 199.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 1 |
| Exact Mass | 510.05338 |
| Heavy Atoms | 32 |
| Complexity | 552.0 |
Chemical Identifiers
| CAS Number | 51689-20-4 |
|---|---|
| SMILES | CC1(C2CCC1(C(=O)C2)CS(=O)(=O)[O-])C.C1=CC(=S)N(C=C1)[O-].C1=CC(=S)N(C=C1)[O-].[Al+3] |
| InChIKey | BVKOWUFCEWJTEF-UHFFFAOYSA-M |
Product Overview
Einecs 257-348-3 (CAS 51689-20-4), with molecular formula C20H23AlN2O6S3 and molecular weight 510.05 g/mol. IUPAC: aluminum;(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methanesulfonate;bis(1-oxidopyridine-2-thione).
Chemical Property Profile of Einecs 257-348-3
Property Insights of Einecs 257-348-3
The XLogP value of 3.67 indicates that Einecs 257-348-3 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 199.0 Ų indicates high polarity, suggesting Einecs 257-348-3 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Einecs 257-348-3 has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Einecs 257-348-3?
The CAS number of Einecs 257-348-3 is 51689-20-4.
What is the molecular formula of Einecs 257-348-3?
The molecular formula of Einecs 257-348-3 is C20H23AlN2O6S3.
What is the molecular weight of Einecs 257-348-3?
The molecular weight of Einecs 257-348-3 is 510.05 g/mol.
Where can I buy Einecs 257-348-3?
You can request a quote for Einecs 257-348-3 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Einecs 257-348-3?
Yes, KEHONG BIO provides custom synthesis services for Einecs 257-348-3 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.