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CAS 13788-72-2 4-HYDROXY-6-METHOXYQUINOLINE molecular structure lightbox
CAS RN: 13788-72-2

4-HYDROXY-6-METHOXYQUINOLINE

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260202 250mg / 1g / 5g / 25g Confirm by inquiry Shanghai, Shandong Inquiry
  • Product code: starshine_CAS13788-72-2
  • Purity/Analytical Methods: >99.0%
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13788-72-2 / 6-methoxy-1H-quinolin-4-one

Standard CAS: 13788-72-2 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
13788-72-2
Multi CAS
No
Molecular Formula
C10H9NO2
Molecular Weight
175.180000
Exact Mass
175.063329
SMILES
COC1=CC2=C(C=C1)NC=CC2=O
InChI
InChI=1S/C10H9NO2/c1-13-7-2-3-9-8(6-7)10(12)4-5-11-9/h2-6H,1H3,(H,11,12)
InChIKey
RVTLXJLNIDCHKT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
10
Fraction Csp3
0.1
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
51.12
TPSA
42.09

LogP / Solubility

WLOGP
1.54
MLOGP
1.35
XLogP3
0.6
Consensus LogP
1.16
Log S (ESOL)
-2.4
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.11
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.19
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)
-2.7

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Corrosive Irritant
Signal
Danger
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H318 (97.4%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
Precautionary Statement Codes
P264, P264+P265, P270, P280, P301+P317, P305+P354+P338, P317, P330, and P501

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