CAS 1046045-61-7 FGH-10019 molecular structure

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CAS RN: 1046045-61-7

FGH-10019

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Batchno.20260213	10mg	In stock	Shanghai	Inquiry
Batchno.20260515	1mg	In stock	Shanghai	Inquiry
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Product code: starshine_CAS1046045-61-7
Purity/Analytical Methods: >99.0%

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1046045-61-7 / N-[4-[2-(2-propyl-4-pyridinyl)-1,3-thiazol-4-yl]phenyl]methanesulfonamide

FGH10019 | FGH-10019 | N-(4-(2-(2-propylpyridin-4-yl)thiazol-4-yl)phenyl)methanesulfonamide

Standard CAS: 1046045-61-7 Multi CAS: No

Basic Information Computed Properties

Basic Information

CAS

1046045-61-7

Multi CAS

Molecular Formula

C18H19N3O2S2

Molecular Weight

373.500000

Exact Mass

373.091869

SMILES

CCCC1=NC=CC(=C1)C2=NC(=CS2)C3=CC=C(C=C3)NS(=O)(=O)C

InChI

InChI=1S/C18H19N3O2S2/c1-3-4-16-11-14(9-10-19-16)18-20-17(12-24-18)13-5-7-15(8-6-13)21-25(2,22)23/h5-12,21H,3-4H2,1-2H3

InChIKey

OWAXXHRQPWGNTG-UHFFFAOYSA-N

Synonyms

FGH10019 FGH-10019 N-(4-(2-(2-propylpyridin-4-yl)thiazol-4-yl)phenyl)methanesulfonamide RefChem:926810 CHEMBL1824673

Computed Properties

Structural Parameters

Heavy atom count

Aromatic heavy atom count

Fraction Csp3

0.22

Rotatable bonds

H-bond acceptors

H-bond donors

Molar refractivity

103.24

TPSA

71.95

LogP / Solubility

WLOGP

4.2

MLOGP

3.71

XLogP3

3.4

Consensus LogP

3.77

Log S (ESOL)

-4.91

Class (ESOL)

Slightly soluble

Log S (Ali)

-5.65

Class (Ali)

Slightly soluble

Log S (SILICOS-IT)

-6.29

Class (SILICOS-IT)

Insoluble

ADME

GI absorption

High

BBB permeant

P-gp substrate

CYP1A2 inhibitor

Yes

CYP2C19 inhibitor

Yes

CYP2C9 inhibitor

Yes

CYP2D6 inhibitor

Yes

CYP3A4 inhibitor

Yes

Log Kp (skin permeation)

-2.02

Drug-likeness / Medicinal Chemistry

Lipinski

Yes

Ghose

Yes

Veber

Yes

Egan

Yes

Muegge

Yes

Bioavailability score

0.55

Leadlikeness

Synthetic Accessibility

2.5

FGH-10019

Product Availability

1046045-61-7 / N-[4-[2-(2-propyl-4-pyridinyl)-1,3-thiazol-4-yl]phenyl]methanesulfonamide

Basic Information

Computed Properties

Structural Parameters

LogP / Solubility

ADME

Drug-likeness / Medicinal Chemistry

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