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CAS 14804-38-7 4-Bromo-2,6-dimethylanisole molecular structure lightbox
CAS RN: 14804-38-7

4-Bromo-2,6-dimethylanisole

Product Availability

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4 package records4 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251208 100g In stock Inquiry
Batchno.20250222 25g In stock Inquiry
Batchno.20260507 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260514 5g / 25g / 100g / 500g Confirm by inquiry Shanghai, Shandong 8-10 business days Inquiry
  • Product code: SSC-058483
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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: 5g, 10g, 25g, 100g
  • Available purity: ≥95%
  • 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 14804-38-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 2 In Stock Hong Kong Inquiry
10g ≥95% 2 In Stock Hong Kong Inquiry
25g ≥95% 0 Out of Stock Hong Kong Inquiry
100g ≥95% 0 Out of Stock Shanghai Inquiry

14804-38-7 / 5-bromo-2-methoxy-1,3-dimethylbenzene

Standard CAS: 14804-38-7 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
14804-38-7
Multi CAS
No
Molecular Formula
C9H11BrO
Molecular Weight
215.090000
Exact Mass
213.999330
SMILES
CC1=CC(=CC(=C1OC)C)Br
InChI
InChI=1S/C9H11BrO/c1-6-4-8(10)5-7(2)9(6)11-3/h4-5H,1-3H3
InChIKey
MMARFGDTMJBIBK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
50.17
TPSA
9.23

LogP / Solubility

WLOGP
3.07
MLOGP
2.71
XLogP3
3.3
Consensus LogP
3.03
Log S (ESOL)
-3.45
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.54
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)
-1.85

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
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]
Precautionary Statement Codes
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364

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