RefChem:240138
TL;DR: RefChem:240138 (CAS 126598-47-8) is a chemical compound with molecular formula C15H18N4O4S and molecular weight 350.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-[hydroxy(methyl)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-(3-(dimethylamino)propyl)-, N,5,5-trioxide, dihydrate, 2-[3-[hydroxy(methyl)amino]butyl]-5,5-dioxo-3H-pyridazino[4,5-b][1,4]benzothiazin-1-one, 2-{3-[Hydroxy(methyl)amino]butyl}-2,3-dihydro-5lambda~6~-pyridazino[4,5-b][1,4]benzothiazine-1,5,5-trione, RefChem:240138
| Molecular Formula | C15H18N4O4S |
|---|---|
| Molecular Weight | 350.10 g/mol |
| LogP | 1.2327 |
| Topological Polar Surface Area | 104.53 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 350.1049 |
| Heavy Atoms | 24 |
| Complexity | 936.7305 |
Chemical Identifiers
| CAS Number | 126598-47-8 |
|---|---|
| SMILES | CC(CCN1C(=O)C2=C(C=N1)S(=O)(=O)C3=CC=CC=C3N2)N(C)O |
Product Overview
RefChem:240138 (CAS 126598-47-8), with molecular formula C15H18N4O4S and molecular weight 350.10 g/mol. IUPAC: 2-[3-[hydroxy(methyl)amino]butyl]-5,5-dioxo-10H-pyridazino[4,5-b][1,4]benzothiazin-1-one.
Chemical Property Profile of RefChem:240138
Property Insights of RefChem:240138
The XLogP value of 1.2327 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:240138. The TPSA of 104.53 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:240138. Following Lipinski's Rule of Five, RefChem:240138 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:240138?
The CAS number of RefChem:240138 is 126598-47-8.
What is the molecular formula of RefChem:240138?
The molecular formula of RefChem:240138 is C15H18N4O4S.
What is the molecular weight of RefChem:240138?
The molecular weight of RefChem:240138 is 350.10 g/mol.
Where can I buy RefChem:240138?
You can request a quote for RefChem:240138 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:240138?
Yes, KEHONG BIO provides custom synthesis services for RefChem:240138 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.