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CAS 74346-19-3 4-bromo-2,6-dimethylbenzoic acid molecular structure lightbox
CAS RN: 74346-19-3

4-bromo-2,6-dimethylbenzoic acid

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260511 1g / 5g / 10g / 25g / 100g Confirm by inquiry Shanghai 8-10 business days Inquiry
  • Product code: SSC-183808
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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: 0.25g, 1g, 5g, 10g
  • Available purity: >98%
  • 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 74346-19-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g >98% 0 Out of Stock Beijing Inquiry
1g >98% 0 Out of Stock Shanghai Inquiry
5g >98% 0 Out of Stock Shenzhen Inquiry
10g >98% 0 Out of Stock Hong Kong Inquiry

74346-19-3 / 4-bromo-2,6-dimethylbenzoic acid

Standard CAS: 74346-19-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
74346-19-3
Multi CAS
No
Molecular Formula
C9H9BRO2
Molecular Weight
229.070000
Exact Mass
227.978590
InChI
InChI=1S/C9H9BrO2/c1-5-3-7(10)4-6(2)8(5)9(11)12/h3-4H,1-2H3,(H,11,12)
InChIKey
DJZAABLAECNINV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
50.58
TPSA
37.3

LogP / Solubility

WLOGP
2.76
MLOGP
2.44
XLogP3
2.9
Consensus LogP
2.7
Log S (ESOL)
-3.31
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.43
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.56
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)
-2.15

Drug-likeness / Medicinal Chemistry

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

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