[email protected]
CAS 3975-77-7 1-BROMO-2,4,6-TRI-TERT-BUTYLBENZENE molecular structure lightbox
CAS RN: 3975-77-7

1-BROMO-2,4,6-TRI-TERT-BUTYLBENZENE

Product Availability

Choose a grade to view its available package options.

6 package records4 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250827 100g In stock Inquiry
Batchno.20251204 100mg Out of stock Inquiry
Batchno.20250619 1g In stock Inquiry
Batchno.20260612 250mg Out of stock Inquiry
Batchno.20250518 25g In stock Inquiry
Batchno.20250404 5g In stock Inquiry
  • Product code: SSC-147486
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
  • Available purity: ≥97%
  • Inventory rows with stock: 6
  • 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 3975-77-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g -- 5 In Stock Shenzhen Inquiry
1g ≥97% 5 In Stock Shanghai Inquiry
5g -- 5 In Stock Shenzhen Inquiry
5g ≥97% 5 In Stock Beijing Inquiry
10g -- 2 In Stock Shanghai Inquiry
10g ≥97% 2 In Stock Beijing Inquiry

3975-77-7 / 2-bromo-1,3,5-tritert-butylbenzene

Standard CAS: 3975-77-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
3975-77-7
Multi CAS
No
Molecular Formula
C18H29BR
Molecular Weight
325.300000
Exact Mass
324.145260
InChI
InChI=1S/C18H29Br/c1-16(2,3)12-10-13(17(4,5)6)15(19)14(11-12)18(7,8)9/h10-11H,1-9H3
InChIKey
JOKZWHPYNRDCOA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.67
Rotatable bonds
3
Molar refractivity
90.24
TPSA
0.0000

LogP / Solubility

WLOGP
6.34
MLOGP
5.6
XLogP3
7.6
Consensus LogP
6.51
Log S (ESOL)
-6.09
Class (ESOL)
Insoluble
Log S (Ali)
-6.81
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.04
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.2

Drug-likeness / Medicinal Chemistry

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

Customers Also Viewed

Get In Touch

Contact Us