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CAS 1070879-84-3 7-CHLORO-8-METHYL-2-PHENYL-4-QUINOLINOL molecular structure lightbox
CAS RN: 1070879-84-3

7-CHLORO-8-METHYL-2-PHENYL-4-QUINOLINOL

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260106 100mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1070879-84-3
  • Purity/Analytical Methods: >99.0%
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1070879-84-3 / 7-chloro-8-methyl-2-phenyl-1H-quinolin-4-one

7-Chloro-8-methyl-2-phenyl-4-quinolinol | DTXSID40653731 | MFCD11505247

Standard CAS: 1070879-84-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1070879-84-3
Multi CAS
Yes
Molecular Formula
C16H12ClNO
Molecular Weight
269.720000
Exact Mass
269.060742
SMILES
CC1=C(C=CC2=C1NC(=CC2=O)C3=CC=CC=C3)Cl
InChI
InChI=1S/C16H12ClNO/c1-10-13(17)8-7-12-15(19)9-14(18-16(10)12)11-5-3-2-4-6-11/h2-9H,1H3,(H,18,19)
InChIKey
CELFQOODUBPRGP-UHFFFAOYSA-N
Synonyms
7-Chloro-8-methyl-2-phenyl-4-quinolinol DTXSID40653731 MFCD11505247 AKOS005903691 7-chloro-8-methyl-2-phenylquinolin-4-ol

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
16
Fraction Csp3
0.06
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
79.75
TPSA
32.86

LogP / Solubility

WLOGP
4.16
MLOGP
3.67
XLogP3
4.2
Consensus LogP
4.01
Log S (ESOL)
-4.69
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.77
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.98
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.41

Drug-likeness / Medicinal Chemistry

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

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