CAS 2756333-39-6 2-Pyridinecarboxamide, 6-fluoro-5-[4-[(5-fluoro-3,4-dihydro-2-methyl-3-oxo-6-quinoxalinyl)methyl]-1-piperazinyl]-N-methyl- molecular structure

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CAS RN: 2756333-39-6

2-Pyridinecarboxamide, 6-fluoro-5-[4-[(5-fluoro-3,4-dihydro-2-methyl-3-oxo-6-quinoxalinyl)methyl]-1-piperazinyl]-N-methyl-

Product Availability

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1 package records0 with current stock1 grade group

Grade In stock only

Batch No.	Package	Availability	Lead Time	Inquiry
Batchno.20250226	5mg / 10mg / 25mg	Out of stock	8-10 business days	Inquiry

Product code: SSC-127150

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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

Pack sizes on record: 0.05g, 0.1g, 0.25g, 1g
Available purity: >97%
Inventory rows with stock: 0
Bulk packaging: confirmed by inquiry

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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 2756333-39-6
Pack Size	Recorded Purity	Available Qty	Ship From	Inquiry
0.05g	>97%	0 Out of Stock	Hong Kong	Inquiry
0.1g	>97%	0 Out of Stock	Shanghai	Inquiry
0.25g	>97%	0 Out of Stock	Hong Kong	Inquiry
1g	>97%	0 Out of Stock	Shanghai	Inquiry

2756333-39-6 / 6-fluoro-5-[4-[(5-fluoro-2-methyl-3-oxo-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide

Standard CAS: 2756333-39-6 Multi CAS: Yes

Basic Information Computed Properties

Basic Information

CAS

2756333-39-6

Multi CAS

Yes

Molecular Formula

C21F2H22N6O2

Molecular Weight

428.400000

Exact Mass

428.177230

InChI

InChI=1S/C21H22F2N6O2/c1-12-20(30)27-18-14(25-12)4-3-13(17(18)22)11-28-7-9-29(10-8-28)16-6-5-15(21(31)24-2)26-19(16)23/h3-6H,7-11H2,1-2H3,(H,24,31)(H,27,30)

InChIKey

WXRCLFFPZXJCLS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count

Aromatic heavy atom count

Fraction Csp3

0.33

Rotatable bonds

H-bond acceptors

H-bond donors

Molar refractivity

112.13

TPSA

94.22

LogP / Solubility

WLOGP

1.59

MLOGP

1.42

XLogP3

1.2

Consensus LogP

1.4

Log S (ESOL)

-3.61

Class (ESOL)

Poorly soluble

Log S (Ali)

-4.22

Class (Ali)

Slightly soluble

Log S (SILICOS-IT)

-4.24

Class (SILICOS-IT)

Slightly soluble

ADME

GI absorption

High

BBB permeant

P-gp substrate

CYP1A2 inhibitor

Yes

CYP2C19 inhibitor

CYP2C9 inhibitor

CYP2D6 inhibitor

Yes

CYP3A4 inhibitor

Log Kp (skin permeation)

-4.21

Drug-likeness / Medicinal Chemistry

Lipinski

Yes

Ghose

Yes

Veber

Yes

Egan

Yes

Muegge

Yes

Bioavailability score

0.55

Brenk alerts

Leadlikeness

Synthetic Accessibility

2-Pyridinecarboxamide, 6-fluoro-5-[4-[(5-fluoro-3,4-dihydro-2-methyl-3-oxo-6-quinoxalinyl)methyl]-1-piperazinyl]-N-methyl-

Product Availability

Historical Supply Reference

Reference Pack Sizes

2756333-39-6 / 6-fluoro-5-[4-[(5-fluoro-2-methyl-3-oxo-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide

Basic Information

Computed Properties

Structural Parameters

LogP / Solubility

ADME

Drug-likeness / Medicinal Chemistry

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