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CAS 64965-49-7 4-Quinolinol, 3-iodo-2-methyl- molecular structure lightbox
CAS RN: 64965-49-7

4-Quinolinol, 3-iodo-2-methyl-

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250720 100mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS64965-49-7
  • Purity/Analytical Methods: >99.0%
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64965-49-7 / 3-iodo-2-methyl-1H-quinolin-4-one

Standard CAS: 64965-49-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
64965-49-7
Multi CAS
No
Molecular Formula
C10H8InO
Molecular Weight
285.080000
Exact Mass
284.965060
InChI
InChI=1S/C10H8INO/c1-6-9(11)10(13)7-4-2-3-5-8(7)12-6/h2-5H,1H3,(H,12,13)
InChIKey
OTKAQDFXVUQKQD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
10
Fraction Csp3
0.1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
62.02
TPSA
32.86

LogP / Solubility

WLOGP
2.44
MLOGP
2.16
XLogP3
2.6
Consensus LogP
2.4
Log S (ESOL)
-3.71
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.66
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.54
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.73

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

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