CAS 1698027-20-1 tert-butyl 4-(7-bromo-6-chloro-8-fluoroquinazolin-4-yl)piperazine-1-carboxylate molecular structure

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CAS RN: 1698027-20-1

tert-butyl 4-(7-bromo-6-chloro-8-fluoroquinazolin-4-yl)piperazine-1-carboxylate

Product Availability

Choose a grade to view its available package options.

5 package records4 with current stock2 grade groups

Grade In stock only

Batch No.	Package	Availability	Warehouse	Inquiry
Batchno.20250710	100mg	In stock	Shanghai	Inquiry
Batchno.20260401	1g	In stock	Shanghai	Inquiry
Batchno.20251013	250mg	In stock	Shanghai	Inquiry
Batchno.20260307	50mg	In stock	Shanghai	Inquiry

Batch No.	Package	Availability	Warehouse	Lead Time	Inquiry
Batchno.20260228	25mg / 100mg / 250mg	Out of stock		8-10 business days	Inquiry

Product code: SSC-074406

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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: 1g
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 1698027-20-1
Pack Size	Recorded Purity	Available Qty	Ship From	Inquiry
1g	≥95%	0 Out of Stock	Beijing	Inquiry

1698027-20-1 / tert-butyl 4-(7-bromo-6-chloro-8-fluoroquinazolin-4-yl)piperazine-1-carboxylate

Standard CAS: 1698027-20-1 Multi CAS: No

Basic Information Computed Properties

Basic Information

CAS

1698027-20-1

Multi CAS

Molecular Formula

C17H19BrClFN4O2

Molecular Weight

445.700000

Exact Mass

444.036390

SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C2=NC=NC3=C(C(=C(C=C32)Cl)Br)F

InChI

InChI=1S/C17H19BrClFN4O2/c1-17(2,3)26-16(25)24-6-4-23(5-7-24)15-10-8-11(19)12(18)13(20)14(10)21-9-22-15/h8-9H,4-7H2,1-3H3

InChIKey

WKUMTSOYOFGRSM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count

Aromatic heavy atom count

Fraction Csp3

0.47

Rotatable bonds

H-bond acceptors

Molar refractivity

102.23

TPSA

58.56

LogP / Solubility

WLOGP

4.24

MLOGP

3.76

XLogP3

4.1

Consensus LogP

4.03

Log S (ESOL)

-5.49

Class (ESOL)

Slightly soluble

Log S (Ali)

-6.28

Class (Ali)

Insoluble

Log S (SILICOS-IT)

-6.2

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)

-2.43

Drug-likeness / Medicinal Chemistry

Lipinski

Yes

Ghose

Yes

Veber

Yes

Egan

Yes

Muegge

Yes

Bioavailability score

0.55

Brenk alerts

Leadlikeness

Synthetic Accessibility

2.5

tert-butyl 4-(7-bromo-6-chloro-8-fluoroquinazolin-4-yl)piperazine-1-carboxylate

Product Availability

Historical Supply Reference

Reference Pack Sizes

1698027-20-1 / tert-butyl 4-(7-bromo-6-chloro-8-fluoroquinazolin-4-yl)piperazine-1-carboxylate

Basic Information

Computed Properties

Structural Parameters

LogP / Solubility

ADME

Drug-likeness / Medicinal Chemistry

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