Einecs 259-352-0
TL;DR: Einecs 259-352-0 (CAS 54792-07-3) is a chemical compound with molecular formula C14H23N3O5S and molecular weight 345.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-dioxo-3-propan-2-yl-1H-2λ6,1,3-benzothiadiazin-4-one;2-(2-hydroxyethylamino)ethanol
Also Known As: EINECS 259-352-0, 2,2-dioxo-3-propan-2-yl-1H-2, 3-Isopropyl-1H-2,1,3-benzothiadiazin-4(3H)-one 2,2-dioxide, compound with 2,2'-iminobis(ethanol) (1:1), 3-(Propan-2-yl)-2lambda~6~,1,3-benzothiadiazine-2,2,4(1H,3H)-trione--2,2'-azanediyldi(ethan-1-ol) (1/1), 3-isopropyl-1H-2,1,3-benzothiadiazin-4(3H)-one 2,2-dioxide, compound with 2,2'-iminobis[ethanol] (1:1)
| Molecular Formula | C14H23N3O5S |
|---|---|
| Molecular Weight | 345.14 g/mol |
| LogP | -0.2319 |
| Topological Polar Surface Area | 118.97 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 345.13583 |
| Heavy Atoms | 23 |
| Complexity | 614.5937 |
Chemical Identifiers
| CAS Number | 54792-07-3 |
|---|---|
| SMILES | CC(C)N1C(=O)C2=CC=CC=C2NS1(=O)=O.C(CO)NCCO |
Product Overview
Einecs 259-352-0 (CAS 54792-07-3), with molecular formula C14H23N3O5S and molecular weight 345.14 g/mol. IUPAC: 2,2-dioxo-3-propan-2-yl-1H-2λ6,1,3-benzothiadiazin-4-one;2-(2-hydroxyethylamino)ethanol.
Chemical Property Profile of Einecs 259-352-0
Property Insights of Einecs 259-352-0
The XLogP value of -0.2319 indicates that Einecs 259-352-0 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 118.97 Ų falls within the moderate polarity range, balancing permeability and solubility for Einecs 259-352-0. Following Lipinski's Rule of Five, Einecs 259-352-0 has 4 hydrogen bond donor(s) and 6 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 259-352-0?
The CAS number of Einecs 259-352-0 is 54792-07-3.
What is the molecular formula of Einecs 259-352-0?
The molecular formula of Einecs 259-352-0 is C14H23N3O5S.
What is the molecular weight of Einecs 259-352-0?
The molecular weight of Einecs 259-352-0 is 345.14 g/mol.
Where can I buy Einecs 259-352-0?
You can request a quote for Einecs 259-352-0 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Einecs 259-352-0?
Yes, KEHONG BIO provides custom synthesis services for Einecs 259-352-0 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.