CAS RN: 142326-59-8

L-701,324

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8 package records4 with current stock2 grade groups
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Batchno.20250715 10mg / 50mg Out of stock 5-7 business days Inquiry
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Batchno.20251118 10mg In stock Shanghai Inquiry
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Batchno.20250511 50mg In stock Shanghai Inquiry
  • Product code: starshine_CAS142326-59-8
  • Purity/Analytical Methods: >99.0%
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142326-59-8 / 7-chloro-4-hydroxy-3-(3-phenoxyphenyl)-1H-quinolin-2-one

Standard CAS: 142326-59-8 Multi CAS: No

Basic Information

CAS
142326-59-8
Multi CAS
No
Molecular Formula
C21H14ClNO3
Molecular Weight
363.800000
Exact Mass
363.066221
SMILES
C1=CC=C(C=C1)OC2=CC=CC(=C2)C3=C(C4=C(C=C(C=C4)Cl)NC3=O)O
InChI
InChI=1S/C21H14ClNO3/c22-14-9-10-17-18(12-14)23-21(25)19(20(17)24)13-5-4-8-16(11-13)26-15-6-2-1-3-7-15/h1-12H,(H2,23,24,25)
InChIKey
FLVRDMUHUXVRET-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
26
Aromatic heavy atom count
22
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
2
Molar refractivity
103.2
TPSA
62.32

LogP / Solubility

WLOGP
5.35
MLOGP
4.72
XLogP3
4.5
Consensus LogP
4.86
Log S (ESOL)
-5.89
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.4
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.82
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.14

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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