CAS 25216-74-4 N-(TERT-BUTOXYCARBONYL)-3-BROMOANILINE molecular structure

lightbox

CAS RN: 25216-74-4

N-(TERT-BUTOXYCARBONYL)-3-BROMOANILINE

Product code: SSC-120971

GET A QUOTE

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, 5g, 10g, 25g, 100g
Available purity: ≥98%
Inventory rows with stock: 2
Bulk packaging: confirmed by inquiry

Request Bulk Quote

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 25216-74-4
Pack Size	Recorded Purity	Available Qty	Ship From	Inquiry
1g	≥98%	5 In Stock	Beijing	Inquiry
5g	≥98%	2 In Stock	Shanghai	Inquiry
10g	≥98%	0 Out of Stock	Shanghai	Inquiry
25g	≥98%	0 Out of Stock	Shanghai	Inquiry
100g	≥98%	0 Out of Stock	Hong Kong	Inquiry

25216-74-4 / tert-butyl N-(3-bromophenyl)carbamate

Standard CAS: 25216-74-4 Multi CAS: No

Basic Information Computed Properties

Basic Information

CAS

25216-74-4

Multi CAS

Molecular Formula

C11H14BrNO2

Molecular Weight

272.140000

Exact Mass

271.020790

SMILES

CC(C)(C)OC(=O)NC1=CC(=CC=C1)Br

InChI

InChI=1S/C11H14BrNO2/c1-11(2,3)15-10(14)13-9-6-4-5-8(12)7-9/h4-7H,1-3H3,(H,13,14)

InChIKey

VDFBCTSISJDKNW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count

Aromatic heavy atom count

Fraction Csp3

0.36

Rotatable bonds

H-bond acceptors

H-bond donors

Molar refractivity

TPSA

38.33

LogP / Solubility

WLOGP

3.8

MLOGP

3.35

XLogP3

3.8

Consensus LogP

3.65

Log S (ESOL)

-4.15

Class (ESOL)

Slightly soluble

Log S (Ali)

-4.53

Class (Ali)

Slightly soluble

Log S (SILICOS-IT)

-4.7

Class (SILICOS-IT)

Slightly 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)

-1.68

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 25216-74-4

This compound is commonly used in general chemistry research and laboratory applications. Starshine Chemical supplies CAS 25216-74-4 for R&D and pilot-scale use, with flexible pack sizes and purity grades available.

Physical & Chemical Properties

IUPAC Name

tert-butyl N-(3-bromophenyl)carbamate

Safety Information (GHS)

Pictogram(s): GHS07. Signal word: Warning.

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary statements: P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Request the SDS (Safety Data Sheet) for full hazard and safety documentation.

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.