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CS-W001157 4
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(2S,3S)-3-Hydroxy-2-(4-methoxyphenyl)-2,3-dihydrobenzo[b][1,4]thiazepin-4(5H)-one

  • CAS No. 42399-49-5

  • Cat. No. CS-0107447
  • Molecule weight301.36
  • Purity≥97%
  • MDL No.MFCD01321316

*For research and further manufacturing use only, not for direct human use.

(2S,3S)-3-Hydroxy-2-(4-methoxyphenyl)-2,3-dihydrobenzo[b][1,4]thiazepin-4(5H)-one|CS-0107447

Structure of 42399-49-5

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General Information

  • CAS No. 42399-49-5
  • Cat. No. CS-0107447
  • Purity ≥97%
  • MDL No. MFCD01321316
  • Storage 4°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₆H₁₅NO₃S
  • Molecular Weight 301.36
  • Synonym(s) (2S,3s)-3-hydroxy-2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4(5h)-one
  • SMILES O=C1[C@H](O)[C@H](C2=CC=C(OC)C=C2)SC3=CC=CC=C3N1

Description

This dihydrobenzo[b][1,4]thiazepinone features a chiral hydroxy group at C3 and a para-methoxyphenyl substituent, delivering enhanced solubility and metabolic stability. The scaffold integrates a polar hydroxyl moiety with an electron-donating methoxy group, enabling efficient incorporation into bioactive compound libraries. Designed for streamlined synthesis in medicinal chemistry workflows.

Safety Information

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GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   58.56
  • LogP   2.8416
  • H_Acceptors   4
  • H_Donors   2
  • Rotatable_Bonds   2

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