CAS 1435753-36-8 Tert-Butyl (2-(4-bromo-1h-pyrazol-1-yl)ethyl)carbamate molecular structure

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CAS RN: 1435753-36-8

Tert-Butyl (2-(4-bromo-1h-pyrazol-1-yl)ethyl)carbamate

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1 package records1 with current stock1 grade group

Grade In stock only

Batch No.	Package	Availability	Warehouse	Inquiry
Batchno.20251007	100mg / 250mg / 1g	Confirm by inquiry	Shanghai	Inquiry

Product code: SSC-054971

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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 1435753-36-8
Pack Size	Recorded Purity	Available Qty	Ship From	Inquiry
1g	＞95%	0 Out of Stock	Beijing	Inquiry

1435753-36-8 / tert-butyl N-[2-(4-bromopyrazol-1-yl)ethyl]carbamate

Standard CAS: 1435753-36-8 Multi CAS: No

Basic Information Computed Properties

Basic Information

CAS

1435753-36-8

Multi CAS

Molecular Formula

C10H16BrN3O2

Molecular Weight

290.160000

Exact Mass

289.042590

SMILES

CC(C)(C)OC(=O)NCCN1C=C(C=N1)Br

InChI

InChI=1S/C10H16BrN3O2/c1-10(2,3)16-9(15)12-4-5-14-7-8(11)6-13-14/h6-7H,4-5H2,1-3H3,(H,12,15)

InChIKey

YSFSTCBXRVYOTH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count

Aromatic heavy atom count

Fraction Csp3

0.6

Rotatable bonds

H-bond acceptors

H-bond donors

Molar refractivity

64.16

TPSA

56.15

LogP / Solubility

WLOGP

2.17

MLOGP

1.92

XLogP3

1.6

Consensus LogP

1.9

Log S (ESOL)

-3.04

Class (ESOL)

Poorly soluble

Log S (Ali)

-3.51

Class (Ali)

Poorly soluble

Log S (SILICOS-IT)

-3.71

Class (SILICOS-IT)

Poorly soluble

ADME

GI absorption

High

BBB permeant

Yes

P-gp substrate

CYP1A2 inhibitor

CYP2C19 inhibitor

CYP2C9 inhibitor

CYP2D6 inhibitor

Yes

CYP3A4 inhibitor

Log Kp (skin permeation)

-2.95

Drug-likeness / Medicinal Chemistry

Lipinski

Yes

Ghose

Veber

Yes

Egan

Yes

Muegge

Yes

Bioavailability score

0.55

Leadlikeness

Yes

Synthetic Accessibility

1.5

Tert-Butyl (2-(4-bromo-1h-pyrazol-1-yl)ethyl)carbamate

Product Availability

Historical Supply Reference

Reference Pack Sizes

1435753-36-8 / tert-butyl N-[2-(4-bromopyrazol-1-yl)ethyl]carbamate

Basic Information

Computed Properties

Structural Parameters

LogP / Solubility

ADME

Drug-likeness / Medicinal Chemistry

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