4H-1,3,4-Thiadiazin-5(6H)-one, 2-(1,2,3,6-tetrahydro-1-(2-hydroxy-2-(3-nitrophenyl)ethyl)-4-pyridinyl)-, monohydrochloride
TL;DR: 4H-1,3,4-Thiadiazin-5(6H)-one, 2-(1,2,3,6-tetrahydro-1-(2-hydroxy-2-(3-nitrophenyl)ethyl)-4-pyridinyl)-, monohydrochloride (CAS 151092-57-8) is a chemical compound with molecular formula C16H19ClN4O4S and molecular weight 398.08154 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[1-[2-hydroxy-2-(3-nitrophenyl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-4H-1,3,4-thiadiazin-5-one;hydrochloride
Also Known As: 4H-1,3,4-Thiadiazin-5(6H)-one, 2-(1,2,3,6-tetrahydro-1-(2-hydroxy-2-(3-nitrophenyl)ethyl)-4-pyridinyl)-, monohydrochloride, 2-[1-[2-hydroxy-2-(3-nitrophenyl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-4H-1,3,4-thiadiazin-5-one hydrochloride, 2-{1-[2-Hydroxy-2-(3-nitrophenyl)ethyl]-1,2,3,6-tetrahydropyridin-4-yl}-6H-1,3,4-thiadiazin-5-ol--hydrogen chloride (1/1)
Technical Specifications
| Molecular Formula | C16H19ClN4O4S |
| Molecular Weight | 398.08154 g/mol |
| XLogP | 1.8586 |
| Topological Polar Surface Area (TPSA) | 136.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 398.08154 Da |
| Heavy Atoms | 26 |
| Complexity | 589.0 |
| SMILES | C1CN(CC=C1C2=NNC(=O)CS2)CC(C3=CC(=CC=C3)[N+](=O)[O-])O.Cl |
| InChIKey | OBEHINDRUFNQHO-UHFFFAOYSA-N |
Chemical Property Profile of 4H-1,3,4-Thiadiazin-5(6H)-one, 2-(1,2,3,6-tetrahydro-1-(2-hydroxy-2-(3-nitrophenyl)ethyl)-4-pyridinyl)-, monohydrochloride
Property Insights of 4H-1,3,4-Thiadiazin-5(6H)-one, 2-(1,2,3,6-tetrahydro-1-(2-hydroxy-2-(3-nitrophenyl)ethyl)-4-pyridinyl)-, monohydrochloride
The XLogP value of 1.8586 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4H-1,3,4-Thiadiazin-5(6H)-one, 2-(1,2,3,6-tetrahydro-1-(2-hydroxy-2-(3-nitrophenyl)ethyl)-4-pyridinyl)-, monohydrochloride. The TPSA of 136.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4H-1,3,4-Thiadiazin-5(6H)-one, 2-(1,2,3,6-tetrahydro-1-(2-hydroxy-2-(3-nitrophenyl)ethyl)-4-pyridinyl)-, monohydrochloride. Following Lipinski's Rule of Five, 4H-1,3,4-Thiadiazin-5(6H)-one, 2-(1,2,3,6-tetrahydro-1-(2-hydroxy-2-(3-nitrophenyl)ethyl)-4-pyridinyl)-, monohydrochloride has 3 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 4H-1,3,4-Thiadiazin-5(6H)-one, 2-(1,2,3,6-tetrahydro-1-(2-hydroxy-2-(3-nitrophenyl)ethyl)-4-pyridinyl)-, monohydrochloride?
The CAS number of 4H-1,3,4-Thiadiazin-5(6H)-one, 2-(1,2,3,6-tetrahydro-1-(2-hydroxy-2-(3-nitrophenyl)ethyl)-4-pyridinyl)-, monohydrochloride is 151092-57-8.
What is the molecular formula of 4H-1,3,4-Thiadiazin-5(6H)-one, 2-(1,2,3,6-tetrahydro-1-(2-hydroxy-2-(3-nitrophenyl)ethyl)-4-pyridinyl)-, monohydrochloride?
The molecular formula of 4H-1,3,4-Thiadiazin-5(6H)-one, 2-(1,2,3,6-tetrahydro-1-(2-hydroxy-2-(3-nitrophenyl)ethyl)-4-pyridinyl)-, monohydrochloride is C16H19ClN4O4S.
What is the molecular weight of 4H-1,3,4-Thiadiazin-5(6H)-one, 2-(1,2,3,6-tetrahydro-1-(2-hydroxy-2-(3-nitrophenyl)ethyl)-4-pyridinyl)-, monohydrochloride?
The molecular weight of 4H-1,3,4-Thiadiazin-5(6H)-one, 2-(1,2,3,6-tetrahydro-1-(2-hydroxy-2-(3-nitrophenyl)ethyl)-4-pyridinyl)-, monohydrochloride is 398.08154 g/mol.
Where can I buy 4H-1,3,4-Thiadiazin-5(6H)-one, 2-(1,2,3,6-tetrahydro-1-(2-hydroxy-2-(3-nitrophenyl)ethyl)-4-pyridinyl)-, monohydrochloride?
You can request a quote for 4H-1,3,4-Thiadiazin-5(6H)-one, 2-(1,2,3,6-tetrahydro-1-(2-hydroxy-2-(3-nitrophenyl)ethyl)-4-pyridinyl)-, monohydrochloride directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4H-1,3,4-Thiadiazin-5(6H)-one, 2-(1,2,3,6-tetrahydro-1-(2-hydroxy-2-(3-nitrophenyl)ethyl)-4-pyridinyl)-, monohydrochloride?
Yes, CoreyChem provides custom synthesis services for 4H-1,3,4-Thiadiazin-5(6H)-one, 2-(1,2,3,6-tetrahydro-1-(2-hydroxy-2-(3-nitrophenyl)ethyl)-4-pyridinyl)-, monohydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.