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CAS 1159706-32-7 3-Hydroxy-7-Methylquinolin-2(1H)-one molecular structure lightbox
CAS RN: 1159706-32-7

3-Hydroxy-7-Methylquinolin-2(1H)-one

  • Product code: SSC-015832
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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: 1g
  • 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 1159706-32-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

1159706-32-7 / 3-hydroxy-7-methyl-1H-quinolin-2-one

3-Hydroxy-7-methylquinolin-2(1H)-one | 3-hydroxy-7-methyl-1H-quinolin-2-one | CHEMBL502372

Standard CAS: 1159706-32-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1159706-32-7
Multi CAS
Yes
Molecular Formula
C10H9NO2
Molecular Weight
175.180000
Exact Mass
175.063329
SMILES
CC1=CC2=C(C=C1)C=C(C(=O)N2)O
InChI
InChI=1S/C10H9NO2/c1-6-2-3-7-5-9(12)10(13)11-8(7)4-6/h2-5,12H,1H3,(H,11,13)
InChIKey
BAUHXXRSZJRUOO-UHFFFAOYSA-N
Synonyms
3-Hydroxy-7-methylquinolin-2(1H)-one 3-hydroxy-7-methyl-1H-quinolin-2-one CHEMBL502372 SCHEMBL3359541 BDBM31158

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
10
Fraction Csp3
0.1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
50.97
TPSA
53.09

LogP / Solubility

WLOGP
1.54
MLOGP
1.35
XLogP3
1.6
Consensus LogP
1.5
Log S (ESOL)
-2.47
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.11
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.08
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.69

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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