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CAS 3972-64-3 1-BROMO-3-TERT-BUTYLBENZENE molecular structure lightbox
CAS RN: 3972-64-3

1-BROMO-3-TERT-BUTYLBENZENE

Product Availability

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6 package records3 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250701 100g Out of stock Inquiry
Batchno.20260112 10g Out of stock Inquiry
Batchno.20251204 1g In stock Inquiry
Batchno.20260519 200mg Out of stock Inquiry
Batchno.20251008 25g In stock Inquiry
Batchno.20251104 5g In stock Inquiry
  • Product code: SSC-147445
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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: 1g, 5g, 10g, 25g, 100g
  • Available purity: ≥98%
  • 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 3972-64-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥98% 3 In Stock Shanghai Inquiry
5g ≥98% 2 In Stock Beijing Inquiry
10g ≥98% 1 In Stock Hong Kong Inquiry
25g ≥98% 0 Out of Stock Hong Kong Inquiry
100g ≥98% 0 Out of Stock Beijing Inquiry

3972-64-3 / 1-bromo-3-tert-butylbenzene

Standard CAS: 3972-64-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
3972-64-3
Multi CAS
No
Molecular Formula
C10H13BR
Molecular Weight
213.110000
Exact Mass
212.020060
InChI
InChI=1S/C10H13Br/c1-10(2,3)8-5-4-6-9(11)7-8/h4-7H,1-3H3
InChIKey
FDXXHPYFJDKWJS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
1
Molar refractivity
52.84
TPSA
0.0000

LogP / Solubility

WLOGP
3.75
MLOGP
3.3
XLogP3
4.3
Consensus LogP
3.78
Log S (ESOL)
-3.93
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.01
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.15
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.36

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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