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CAS 1193272-59-1 Quinoline, 4-chloro-7-methoxy-8-methyl-2-[4-(1-methylethyl)-2-thiazolyl]- molecular structure lightbox
CAS RN: 1193272-59-1

Quinoline, 4-chloro-7-methoxy-8-methyl-2-[4-(1-methylethyl)-2-thiazolyl]-

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250117 50mg / 250mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS1193272-59-1
  • Purity/Analytical Methods: >99.0%
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1193272-59-1 / 2-(4-chloro-7-methoxy-8-methylquinolin-2-yl)-4-propan-2-yl-1,3-thiazole

2-(4-chloro-7-methoxy-8-methylquinolin-2-yl)-4-isopropylthiazole | Quinoline, 4-chloro-7-methoxy-8-methyl-2-[4-(1-methylethyl)-2-thiazolyl]- | 2-(4-chloro-7-methoxy-8-methylquinolin-2-yl)-4-propan-2-yl-1,3-thiazole

Standard CAS: 1193272-59-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1193272-59-1
Multi CAS
No
Molecular Formula
C17H17ClN2OS
Molecular Weight
332.800000
Exact Mass
332.075012
SMILES
CC1=C(C=CC2=C1N=C(C=C2Cl)C3=NC(=CS3)C(C)C)OC
InChI
InChI=1S/C17H17ClN2OS/c1-9(2)14-8-22-17(20-14)13-7-12(18)11-5-6-15(21-4)10(3)16(11)19-13/h5-9H,1-4H3
InChIKey
PNVZYJFBBFNRPK-UHFFFAOYSA-N
Synonyms
2-(4-chloro-7-methoxy-8-methylquinolin-2-yl)-4-isopropylthiazole Quinoline, 4-chloro-7-methoxy-8-methyl-2-[4-(1-methylethyl)-2-thiazolyl]- 2-(4-chloro-7-methoxy-8-methylquinolin-2-yl)-4-propan-2-yl-1,3-thiazole 2-(4-isopropyl-thiazol-2-yl)-4-chloro-7-methoxy-8-methyl-quinoline SCHEMBL874861

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
15
Fraction Csp3
0.29
Rotatable bonds
3
H-bond acceptors
4
Molar refractivity
93.24
TPSA
35.01

LogP / Solubility

WLOGP
5.45
MLOGP
4.81
XLogP3
5
Consensus LogP
5.09
Log S (ESOL)
-5.65
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.23
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.71
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
No
Log Kp (skin permeation)
-0.88

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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