C16H18N4O5S.ClH.1/3H2O
TL;DR: C16H18N4O5S.ClH.1/3H2O (CAS 157023-82-0) is a chemical compound with molecular formula C16H19ClN4O5S and molecular weight 414.07648 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[2-(4-oxidomorpholin-4-ium-4-yl)ethyl]-5,5-dioxo-10H-pyridazino[4,5-b][1,4]benzothiazin-4-one;hydrochloride
Also Known As: C16H18N4O5S.ClH.1/3H2O, 3H-Pyridazino(4,5-b)(1,4)benzothiazin-4(10H)-one, 3-(2-(4-morpholinyl)ethyl)-, N,5,5-trioxide, hydrochloride, hydrate (3:3:1), C16-H18-N4-O5-S.Cl-H.1/3H2-O, 3-[2-(4-oxidomorpholin-4-ium-4-yl)ethyl]-5,5-dioxo-10H-pyridazino[4,5-b][1,4]benzothiazin-4-one hydrochloride, 3-[2-(4-Oxo-1,4lambda~5~-oxazinan-4-yl)ethyl]-5lambda~6~-pyridazino[4,5-b][1,4]benzothiazine-4,5,5(3H,10H)-trione--hydrogen chloride (1/1)
Technical Specifications
| Molecular Formula | C16H19ClN4O5S |
| Molecular Weight | 414.07648 g/mol |
| XLogP | 0.8997 |
| Topological Polar Surface Area (TPSA) | 115.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 414.07648 Da |
| Heavy Atoms | 27 |
| Complexity | 751.0 |
| SMILES | C1COCC[N+]1(CCN2C(=O)C3=C(C=N2)NC4=CC=CC=C4S3(=O)=O)[O-].Cl |
| InChIKey | ZYWZTMDLWHPFSQ-UHFFFAOYSA-N |
Chemical Property Profile of C16H18N4O5S.ClH.1/3H2O
Property Insights of C16H18N4O5S.ClH.1/3H2O
The XLogP value of 0.8997 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C16H18N4O5S.ClH.1/3H2O. The TPSA of 115.0 Ų falls within the moderate polarity range, balancing permeability and solubility for C16H18N4O5S.ClH.1/3H2O. Following Lipinski's Rule of Five, C16H18N4O5S.ClH.1/3H2O 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
What is the CAS number of C16H18N4O5S.ClH.1/3H2O?
The CAS number of C16H18N4O5S.ClH.1/3H2O is 157023-82-0.
What is the molecular formula of C16H18N4O5S.ClH.1/3H2O?
The molecular formula of C16H18N4O5S.ClH.1/3H2O is C16H19ClN4O5S.
What is the molecular weight of C16H18N4O5S.ClH.1/3H2O?
The molecular weight of C16H18N4O5S.ClH.1/3H2O is 414.07648 g/mol.
Where can I buy C16H18N4O5S.ClH.1/3H2O?
You can request a quote for C16H18N4O5S.ClH.1/3H2O directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for C16H18N4O5S.ClH.1/3H2O?
Yes, CoreyChem provides custom synthesis services for C16H18N4O5S.ClH.1/3H2O and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.