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CAS 27129-86-8 3,5-Dimethylbenzyl bromide molecular structure lightbox
CAS RN: 27129-86-8

3,5-Dimethylbenzyl bromide

Product Availability

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250304 100g In stock Shandong Inquiry
Batchno.20250503 25g In stock Shandong, Hebei Inquiry
Batchno.20260228 5g In stock Shandong, Guangdong Inquiry
  • Product code: SSC-125931
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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: 100g, 5g, 10g, 25g
  • Available purity: >98%
  • Inventory rows with stock: 2
  • 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 27129-86-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
100g >98% 2 In Stock Shanghai Inquiry
5g >98% 1 In Stock Hong Kong Inquiry
10g >98% 0 Out of Stock Hong Kong Inquiry
25g >98% 0 Out of Stock Shanghai Inquiry

27129-86-8 / 1-(bromomethyl)-2,3-dimethylbenzene

Standard CAS: 27129-86-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
27129-86-8
Multi CAS
No
Molecular Formula
C9H11Br
Molecular Weight
199.090000
Exact Mass
198.004410
SMILES
CC1=C(C(=CC=C1)CBr)C
InChI
InChI=1S/C9H11Br/c1-7-4-3-5-9(6-10)8(7)2/h3-5H,6H2,1-2H3
InChIKey
UFYRPPWFKLXRQV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
1
Molar refractivity
48.55
TPSA
0.0000

LogP / Solubility

WLOGP
3.2
MLOGP
2.81
XLogP3
3.2
Consensus LogP
3.07
Log S (ESOL)
-3.47
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.5
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.73
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.66

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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