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CAS 1227608-04-9 7-Hydroxyquinoline-6-carboxylic acid molecular structure lightbox
CAS RN: 1227608-04-9

7-Hydroxyquinoline-6-carboxylic acid

  • Product code: SSC-026226
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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 1227608-04-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >95% 0 Out of Stock Beijing Inquiry

1227608-04-9 / 7-hydroxyquinoline-6-carboxylic acid

Standard CAS: 1227608-04-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1227608-04-9
Multi CAS
No
Molecular Formula
C10H7NO3
Molecular Weight
189.170000
Exact Mass
189.042593
SMILES
C1=CC2=CC(=C(C=C2N=C1)O)C(=O)O
InChI
InChI=1S/C10H7NO3/c12-9-5-8-6(2-1-3-11-8)4-7(9)10(13)14/h1-5,12H,(H,13,14)
InChIKey
CENQCXCHHORWMV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
10
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
50.37
TPSA
70.42

LogP / Solubility

WLOGP
1.64
MLOGP
1.44
XLogP3
1.9
Consensus LogP
1.66
Log S (ESOL)
-2.51
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.29
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.37
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)
-2.71

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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