C14H16N4O4S.ClH.1/2H2O
TL;DR: C14H16N4O4S.ClH.1/2H2O (CAS 157023-79-5) is a chemical compound with molecular formula C14H17ClN4O4S and molecular weight 372.06592 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N,N-dimethyl-2-(4,5,5-trioxo-10H-pyridazino[4,5-b][1,4]benzothiazin-3-yl)ethanamine oxide;hydrochloride
Also Known As: C14H16N4O4S.ClH.1/2H2O, 3H-Pyridazino(4,5-b)(1,4)benzothiazin-4(10H)-one, 3-(2-(dimethylamino)ethyl)-, N,5,5-trioxide,hydrochloride, hydrate (2:2:1), C14-H16-N4-O4-S.Cl-H.1/2H2-O, N,N-dimethyl-2-(4,5,5-trioxo-10H-pyridazino[4,5-b][1,4]benzothiazin-3-yl)ethanamine oxide hydrochloride, N,N-Dimethyl-2-(4,5,5-trioxo-5,10-dihydro-5lambda~6~-pyridazino[4,5-b][1,4]benzothiazin-3(4H)-yl)ethan-1-amine N-oxide--hydrogen chloride (1/1)
Technical Specifications
| Molecular Formula | C14H17ClN4O4S |
| Molecular Weight | 372.06592 g/mol |
| XLogP | 1.1291 |
| Topological Polar Surface Area (TPSA) | 105.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 372.06592 Da |
| Heavy Atoms | 24 |
| Complexity | 677.0 |
| SMILES | C[N+](C)(CCN1C(=O)C2=C(C=N1)NC3=CC=CC=C3S2(=O)=O)[O-].Cl |
| InChIKey | QOEHQINBHXPJEC-UHFFFAOYSA-N |
Chemical Property Profile of C14H16N4O4S.ClH.1/2H2O
Property Insights of C14H16N4O4S.ClH.1/2H2O
The XLogP value of 1.1291 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C14H16N4O4S.ClH.1/2H2O. The TPSA of 105.0 Ų falls within the moderate polarity range, balancing permeability and solubility for C14H16N4O4S.ClH.1/2H2O. Following Lipinski's Rule of Five, C14H16N4O4S.ClH.1/2H2O has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of C14H16N4O4S.ClH.1/2H2O?
The CAS number of C14H16N4O4S.ClH.1/2H2O is 157023-79-5.
What is the molecular formula of C14H16N4O4S.ClH.1/2H2O?
The molecular formula of C14H16N4O4S.ClH.1/2H2O is C14H17ClN4O4S.
What is the molecular weight of C14H16N4O4S.ClH.1/2H2O?
The molecular weight of C14H16N4O4S.ClH.1/2H2O is 372.06592 g/mol.
Where can I buy C14H16N4O4S.ClH.1/2H2O?
You can request a quote for C14H16N4O4S.ClH.1/2H2O directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for C14H16N4O4S.ClH.1/2H2O?
Yes, CoreyChem provides custom synthesis services for C14H16N4O4S.ClH.1/2H2O and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.