CAS 774533-81-2 5-(Tert-Butoxycarbonyl)-5,6-Dihydro-4H-Pyrrolo[3,4-D]Thiazole-2-Carboxylic Acid molecular structure

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CAS RN: 774533-81-2

5-(Tert-Butoxycarbonyl)-5,6-Dihydro-4H-Pyrrolo[3,4-D]Thiazole-2-Carboxylic Acid

Product code: SSC-187013

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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: 0.1g, 0.25g, 1g
Available purity: >95%
Inventory rows with stock: 3
Bulk packaging: confirmed by inquiry

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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 774533-81-2
Pack Size	Recorded Purity	Available Qty	Ship From	Inquiry
0.1g	>95%	1 In Stock	Hong Kong	Inquiry
0.25g	>95%	1 In Stock	Shenzhen	Inquiry
1g	>95%	1 In Stock	Beijing	Inquiry

774533-81-2 / 5-[(2-methylpropan-2-yl)oxycarbonyl]-4,6-dihydropyrrolo[3,4-d][1,3]thiazole-2-carboxylic acid

Standard CAS: 774533-81-2 Multi CAS: No

Basic Information Computed Properties

Basic Information

CAS

774533-81-2

Multi CAS

Molecular Formula

C11H14N2O4S

Molecular Weight

270.310000

Exact Mass

270.067428

InChI

InChI=1S/C11H14N2O4S/c1-11(2,3)17-10(16)13-4-6-7(5-13)18-8(12-6)9(14)15/h4-5H2,1-3H3,(H,14,15)

InChIKey

HJCSXJBMSSXPGR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count

Aromatic heavy atom count

Fraction Csp3

0.55

Rotatable bonds

H-bond acceptors

H-bond donors

Molar refractivity

64.55

TPSA

79.73

LogP / Solubility

WLOGP

2.09

MLOGP

1.85

XLogP3

1.1

Consensus LogP

1.68

Log S (ESOL)

-2.97

Class (ESOL)

Moderately soluble

Log S (Ali)

-3.29

Class (Ali)

Poorly soluble

Log S (SILICOS-IT)

-3.27

Class (SILICOS-IT)

Poorly soluble

ADME

GI absorption

High

BBB permeant

P-gp substrate

CYP1A2 inhibitor

CYP2C19 inhibitor

CYP2C9 inhibitor

CYP2D6 inhibitor

Yes

CYP3A4 inhibitor

Log Kp (skin permeation)

-2.88

Drug-likeness / Medicinal Chemistry

Lipinski

Yes

Ghose

Veber

Yes

Egan

Yes

Muegge

Yes

Bioavailability score

0.55

Leadlikeness

Yes

Synthetic Accessibility

1.5

Applications of CAS 774533-81-2

This compound is commonly used in general chemistry research and laboratory applications. Starshine Chemical supplies CAS 774533-81-2 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.