CAS 1202764-53-1 4-(1-(2-amino-5-chloropyrimidin-4-yl)-2-(thiaol-2-yl)but-30-yn-2-ol molecular structure

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CAS RN: 1202764-53-1

4-(1-(2-amino-5-chloropyrimidin-4-yl)-2-(thiaol-2-yl)but-30-yn-2-ol

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1 package records0 with current stock1 grade group

Grade In stock only

Batch No.	Package	Availability	Lead Time	Inquiry
Batchno.20260517	5mg / 10mg / 50mg	Out of stock	5-7 business days	Inquiry

Product code: SSC-021127

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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: 0.25g
Available purity: ≥95%
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 1202764-53-1
Pack Size	Recorded Purity	Available Qty	Ship From	Inquiry
0.25g	≥95%	0 Out of Stock	Beijing	Inquiry

1202764-53-1 / 4-[1-(2-amino-5-chloropyrimidin-4-yl)-2,3-dihydroindol-6-yl]-2-(1,3-thiazol-2-yl)but-3-yn-2-ol

B022 | 4-(1-(2-amino-5-chloropyrimidin-4-yl)indolin-6-yl)-2-(thiazol-2-yl)but-3-yn-2-ol | CHEMBL3187788

Standard CAS: 1202764-53-1 Multi CAS: No

Basic Information Computed Properties

Basic Information

CAS

1202764-53-1

Multi CAS

Molecular Formula

C19H16ClN5OS

Molecular Weight

397.900000

Exact Mass

397.076409

SMILES

CC(C#CC1=CC2=C(CCN2C3=NC(=NC=C3Cl)N)C=C1)(C4=NC=CS4)O

InChI

InChI=1S/C19H16ClN5OS/c1-19(26,17-22-7-9-27-17)6-4-12-2-3-13-5-8-25(15(13)10-12)16-14(20)11-23-18(21)24-16/h2-3,7,9-11,26H,5,8H2,1H3,(H2,21,23,24)

InChIKey

OKFYOOFXVBCIIP-UHFFFAOYSA-N

Synonyms

B022 4-(1-(2-amino-5-chloropyrimidin-4-yl)indolin-6-yl)-2-(thiazol-2-yl)but-3-yn-2-ol CHEMBL3187788 NCGC00346747 indol-6-yl]-2-thiazol-2-yl-but-3-yn-2-ol

Computed Properties

Structural Parameters

Heavy atom count

Aromatic heavy atom count

Fraction Csp3

0.21

Rotatable bonds

H-bond acceptors

H-bond donors

Molar refractivity

107.17

TPSA

88.16

LogP / Solubility

WLOGP

3.12

MLOGP

2.77

XLogP3

Consensus LogP

2.96

Log S (ESOL)

-4.61

Class (ESOL)

Slightly soluble

Log S (Ali)

-5.08

Class (Ali)

Slightly soluble

Log S (SILICOS-IT)

-5.08

Class (SILICOS-IT)

Slightly soluble

ADME

GI absorption

High

BBB permeant

P-gp substrate

CYP1A2 inhibitor

Yes

CYP2C19 inhibitor

Yes

CYP2C9 inhibitor

CYP2D6 inhibitor

Yes

CYP3A4 inhibitor

Yes

Log Kp (skin permeation)

-2.93

Drug-likeness / Medicinal Chemistry

Lipinski

Yes

Ghose

Yes

Veber

Yes

Egan

Yes

Muegge

Yes

Bioavailability score

0.55

Brenk alerts

Leadlikeness

Synthetic Accessibility

3.5

4-(1-(2-amino-5-chloropyrimidin-4-yl)-2-(thiaol-2-yl)but-30-yn-2-ol

Product Availability

Historical Supply Reference

Reference Pack Sizes

1202764-53-1 / 4-[1-(2-amino-5-chloropyrimidin-4-yl)-2,3-dihydroindol-6-yl]-2-(1,3-thiazol-2-yl)but-3-yn-2-ol

Basic Information

Computed Properties

Structural Parameters

LogP / Solubility

ADME

Drug-likeness / Medicinal Chemistry

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