CAS 1799412-29-5 tert-butyl 3-acetylpyrazin-2-ylcarbamate molecular structure

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CAS RN: 1799412-29-5

tert-butyl 3-acetylpyrazin-2-ylcarbamate

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1 package records1 with current stock1 grade group

Grade In stock only

Batch No.	Package	Availability	Warehouse	Inquiry
Batchno.20260701	25mg / 100mg / 250mg	Confirm by inquiry	Shanghai	Inquiry

Product code: SSC-080260

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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

Pack sizes on record: 1g, 0.1g, 0.25g
Available purity: ≥95%
Inventory rows with stock: 3
Bulk packaging: confirmed by inquiry

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Available Pack Sizes & Stock

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Recorded sizes, purity and stock details for CAS 1799412-29-5
Pack Size	Recorded Purity	Available Qty	Ship From	Inquiry
1g	≥95%	5 In Stock	Shanghai	Inquiry
0.1g	≥95%	1 In Stock	Shanghai	Inquiry
0.25g	≥95%	1 In Stock	Shanghai	Inquiry

1799412-29-5 / tert-butyl N-(3-acetylpyrazin-2-yl)carbamate

Standard CAS: 1799412-29-5 Multi CAS: No

Basic Information Computed Properties

Basic Information

CAS

1799412-29-5

Multi CAS

Molecular Formula

C11H15N3O3

Molecular Weight

237.250000

Exact Mass

237.111341

SMILES

CC(=O)C1=NC=CN=C1NC(=O)OC(C)(C)C

InChI

InChI=1S/C11H15N3O3/c1-7(15)8-9(13-6-5-12-8)14-10(16)17-11(2,3)4/h5-6H,1-4H3,(H,13,14,16)

InChIKey

LTUDTDAIPWTWCO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count

Aromatic heavy atom count

Fraction Csp3

0.45

Rotatable bonds

H-bond acceptors

H-bond donors

Molar refractivity

61.89

TPSA

81.18

LogP / Solubility

WLOGP

2.03

MLOGP

1.79

XLogP3

1.2

Consensus LogP

1.67

Log S (ESOL)

-2.72

Class (ESOL)

Moderately soluble

Log S (Ali)

-2.97

Class (Ali)

Moderately soluble

Log S (SILICOS-IT)

-3.12

Class (SILICOS-IT)

Poorly soluble

ADME

GI absorption

High

BBB permeant

P-gp substrate

CYP1A2 inhibitor

CYP2C19 inhibitor

CYP2C9 inhibitor

CYP2D6 inhibitor

CYP3A4 inhibitor

Log Kp (skin permeation)

-2.73

Drug-likeness / Medicinal Chemistry

Lipinski

Yes

Ghose

Veber

Yes

Egan

Yes

Muegge

Yes

Bioavailability score

0.55

Leadlikeness

Synthetic Accessibility

1.5

Applications of CAS 1799412-29-5

This compound is commonly used in general chemistry research and laboratory applications. Starshine Chemical supplies CAS 1799412-29-5 for R&D and pilot-scale use, with flexible pack sizes and purity grades available.

Storage & Handling

Storage: Keep the container tightly closed in a cool, dry and well-ventilated place. For detailed hazard, storage and transport information, request the SDS (Safety Data Sheet) with your inquiry.

Quotation & Packaging

Prices are confirmed by inquiry. Request a quote for current pricing, minimum order quantity (MOQ) and lead time. The pack sizes listed on this page are reference options; custom pack sizes and bulk quantities are available on request.

Quality & Compliance

Specifications and purity shown on this page are based on batch records. A Certificate of Analysis (COA) is available on request. For research and further manufacturing use only — not for direct human or therapeutic use.