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CAS 181058-08-2 1,3,5-TRIS(BROMOMETHYL)-2,4,6-TRIETHYLBENZENE molecular structure lightbox
CAS RN: 181058-08-2

1,3,5-TRIS(BROMOMETHYL)-2,4,6-TRIETHYLBENZENE

Product Availability

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2 package records2 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260124 1g / 5g / 25g / 100g Confirm by inquiry Shanghai, Guangdong Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260504 1g / 5g / 25g Confirm by inquiry Shanghai 8-10 business days Inquiry
  • Product code: SSC-082345
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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: 5g
  • Available purity: ≥97%
  • 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 181058-08-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥97% 0 Out of Stock Hong Kong Inquiry

181058-08-2 / 1,3,5-tris(bromomethyl)-2,4,6-triethylbenzene

Standard CAS: 181058-08-2 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
181058-08-2
Multi CAS
No
Molecular Formula
C15H21Br3
Molecular Weight
441.000000
Exact Mass
439.917290
SMILES
CCC1=C(C(=C(C(=C1CBr)CC)CBr)CC)CBr
InChI
InChI=1S/C15H21Br3/c1-4-10-13(7-16)11(5-2)15(9-18)12(6-3)14(10)8-17/h4-9H2,1-3H3
InChIKey
UMKPSDHZXLYFJF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.6
Rotatable bonds
6
Molar refractivity
92.47
TPSA
0.0000

LogP / Solubility

WLOGP
6.06
MLOGP
5.36
XLogP3
6
Consensus LogP
5.81
Log S (ESOL)
-6.24
Class (ESOL)
Insoluble
Log S (Ali)
-7.55
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.28
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
Yes
Log Kp (skin permeation)
-1.11

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H413 (100%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement Codes
P264, P264+P265, P273, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364, and P501

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