Einecs 261-345-2
TL;DR: Einecs 261-345-2 (CAS 58585-87-8) is a chemical compound with molecular formula C13H28N3O7PS and molecular weight 401.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-(4-amino-N-ethyl-3-methylanilino)ethyl]methanesulfonamide;methanol;phosphoric acid
Also Known As: EINECS 261-345-2, N-(2-((4-Amino-m-tolyl)ethylamino)ethyl)methanesulphonamide phosphate, compound with methanol (1:1), N-[2-(4-amino-N-ethyl-3-methylanilino)ethyl]methanesulfonamide; methanol; phosphoric acid, N-[2-[(4-amino-m-tolyl)ethylamino]ethyl]methanesulphonamide phosphate, compound with methanol (1:1)
| Molecular Formula | C13H28N3O7PS |
|---|---|
| Molecular Weight | 401.14 g/mol |
| LogP | -0.36738 |
| Topological Polar Surface Area | 173.42 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 401.13855 |
| Heavy Atoms | 25 |
| Complexity | 640.7581 |
Chemical Identifiers
| CAS Number | 58585-87-8 |
|---|---|
| SMILES | CCN(CCNS(=O)(=O)C)C1=CC(=C(C=C1)N)C.CO.OP(=O)(O)O |
Product Overview
Einecs 261-345-2 (CAS 58585-87-8), with molecular formula C13H28N3O7PS and molecular weight 401.14 g/mol. IUPAC: N-[2-(4-amino-N-ethyl-3-methylanilino)ethyl]methanesulfonamide;methanol;phosphoric acid.
Chemical Property Profile of Einecs 261-345-2
Property Insights of Einecs 261-345-2
The XLogP value of -0.36738 indicates that Einecs 261-345-2 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 173.42 Ų indicates high polarity, suggesting Einecs 261-345-2 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Einecs 261-345-2 has 6 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Einecs 261-345-2?
The CAS number of Einecs 261-345-2 is 58585-87-8.
What is the molecular formula of Einecs 261-345-2?
The molecular formula of Einecs 261-345-2 is C13H28N3O7PS.
What is the molecular weight of Einecs 261-345-2?
The molecular weight of Einecs 261-345-2 is 401.14 g/mol.
Where can I buy Einecs 261-345-2?
You can request a quote for Einecs 261-345-2 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Einecs 261-345-2?
Yes, KEHONG BIO provides custom synthesis services for Einecs 261-345-2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.