RefChem:240134
TL;DR: RefChem:240134 (CAS 126598-48-9) is a chemical compound with molecular formula C16H20N4O4S and molecular weight 364.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-[ethyl(hydroxy)amino]butyl]-5,5-dioxo-10H-pyridazino[4,5-b][1,4]benzothiazin-1-one
Also Known As: 1H-Pyridazino(4,5-b)(1,4)benzothiazin-1-one, 2,10-dihydro-2-(2-(diethylamino)ethyl)-, N,5,5-trioxide, trihydrate, 2-[2-[ethyl(hydroxy)amino]butyl]-5,5-dioxo-3H-pyridazino[4,5-b][1,4]benzothiazin-1-one, 2-{2-[Ethyl(hydroxy)amino]butyl}-2,3-dihydro-5lambda~6~-pyridazino[4,5-b][1,4]benzothiazine-1,5,5-trione, RefChem:240134
| Molecular Formula | C16H20N4O4S |
|---|---|
| Molecular Weight | 364.12 g/mol |
| LogP | 1.6228 |
| Topological Polar Surface Area | 104.53 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 364.1205 |
| Heavy Atoms | 25 |
| Complexity | 954.84735 |
Chemical Identifiers
| CAS Number | 126598-48-9 |
|---|---|
| SMILES | CCC(CN1C(=O)C2=C(C=N1)S(=O)(=O)C3=CC=CC=C3N2)N(CC)O |
Product Overview
RefChem:240134 (CAS 126598-48-9), with molecular formula C16H20N4O4S and molecular weight 364.12 g/mol. IUPAC: 2-[2-[ethyl(hydroxy)amino]butyl]-5,5-dioxo-10H-pyridazino[4,5-b][1,4]benzothiazin-1-one.
Chemical Property Profile of RefChem:240134
Property Insights of RefChem:240134
The XLogP value of 1.6228 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:240134. The TPSA of 104.53 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:240134. Following Lipinski's Rule of Five, RefChem:240134 has 2 hydrogen bond donor(s) and 7 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 RefChem:240134?
The CAS number of RefChem:240134 is 126598-48-9.
What is the molecular formula of RefChem:240134?
The molecular formula of RefChem:240134 is C16H20N4O4S.
What is the molecular weight of RefChem:240134?
The molecular weight of RefChem:240134 is 364.12 g/mol.
Where can I buy RefChem:240134?
You can request a quote for RefChem:240134 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:240134?
Yes, KEHONG BIO provides custom synthesis services for RefChem:240134 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.