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CAS 99429-78-4 4-HYDROXYTHIENO[2,3-B]PYRIDIN-6(7H)-ONE molecular structure lightbox
CAS RN: 99429-78-4

4-HYDROXYTHIENO[2,3-B]PYRIDIN-6(7H)-ONE

  • Product code: SSC-213156
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 0.25g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 99429-78-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shanghai Inquiry

99429-78-4 / 4-hydroxy-7H-thieno[2,3-b]pyridin-6-one

Standard CAS: 99429-78-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
99429-78-4
Multi CAS
Yes
Molecular Formula
C7H5NO2S
Molecular Weight
167.190000
Exact Mass
167.004100
InChI
InChI=1S/C7H5NO2S/c9-5-3-6(10)8-7-4(5)1-2-11-7/h1-3H,(H2,8,9,10)
InChIKey
WZKFAAIOEBUBFO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
9
H-bond acceptors
3
H-bond donors
2
Molar refractivity
44.11
TPSA
53.09

LogP / Solubility

WLOGP
1.3
MLOGP
1.14
XLogP3
0.7
Consensus LogP
1.05
Log S (ESOL)
-2.3
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.87
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.82
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.82

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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