42399-49-5
Product Name:
(2S-cis)-(+)-2,3-Dihydro-3-hydroxy-2-(4-methoxyphenyl)-1,5-benzothiazepin-4(5H)-one
Formula:
C16H15NO3S
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
Solubility | 6.2 [ug/mL] (The mean of the results at pH 7.4) |
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SAFETY INFORMATION
Signal word | Warning |
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Pictogram(s) |
Exclamation Mark Irritant GHS07 |
GHS Hazard Statements |
H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation |
Precautionary Statement Codes |
P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P280:Wear protective gloves/protective clothing/eye protection/face protection. |
COMPUTED DESCRIPTORS
Molecular Weight | 301.4 g/mol |
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XLogP3 | 2.3 |
Hydrogen Bond Donor Count | 2 |
Hydrogen Bond Acceptor Count | 4 |
Rotatable Bond Count | 2 |
Exact Mass | 301.07726451 g/mol |
Monoisotopic Mass | 301.07726451 g/mol |
Topological Polar Surface Area | 83.9 Ų |
Heavy Atom Count | 21 |
Formal Charge | 0 |
Complexity | 371 |
Isotope Atom Count | 0 |
Defined Atom Stereocenter Count | 2 |
Undefined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 0 |
Undefined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Compound Is Canonicalized | Yes |
RELATED SUPPLIERS
KARPSCHEM LABORATORIES PVT. LTD.
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(2S,3S)-3-Hydroxy-2-(4-methoxyphenyl)-2,3- dihydro-1,5-benzothiazepin-4(5H)-one 42399-49-5 96%
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