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CAS 1516-96-7 4-Bromo-2,6-di-tert-butylanisole molecular structure lightbox
CAS RN: 1516-96-7

4-Bromo-2,6-di-tert-butylanisole

Product Availability

Choose a grade to view its available package options.

5 package records5 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250922 100g In stock Inquiry
Batchno.20250718 1g In stock Inquiry
Batchno.20260202 25g In stock Inquiry
Batchno.20250101 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260614 5g / 10g / 25g / 100g / 500g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-061444
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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: 1g, 5g, 10g, 25g
  • 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 1516-96-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Hong Kong Inquiry
5g ＞97% 0 Out of Stock Shenzhen Inquiry
10g ＞97% 0 Out of Stock Shanghai Inquiry
25g ＞97% 0 Out of Stock Shanghai Inquiry

1516-96-7 / 5-bromo-1,3-ditert-butyl-2-methoxybenzene

Standard CAS: 1516-96-7 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1516-96-7
Multi CAS
No
Molecular Formula
C15H23BrO
Molecular Weight
299.250000
Exact Mass
298.093230
SMILES
CC(C)(C)C1=CC(=CC(=C1OC)C(C)(C)C)Br
InChI
InChI=1S/C15H23BrO/c1-14(2,3)11-8-10(16)9-12(13(11)17-7)15(4,5)6/h8-9H,1-7H3
InChIKey
KKHJQLVAMOKQHO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.6
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
78.09
TPSA
9.23

LogP / Solubility

WLOGP
5.05
MLOGP
4.46
XLogP3
5.9
Consensus LogP
5.14
Log S (ESOL)
-5.07
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.66
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.92
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)
-0.96

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] 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 Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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