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CAS 75344-77-3 4-BROMO-3,5-DIMETHYL-BENZONITRILE molecular structure lightbox
CAS RN: 75344-77-3

4-BROMO-3,5-DIMETHYL-BENZONITRILE

Product Availability

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5 package records4 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20260119 100g In stock Inquiry
Batchno.20250412 1g In stock Inquiry
Batchno.20251127 200mg Out of stock Inquiry
Batchno.20250211 25g In stock Inquiry
Batchno.20260210 5g In stock Inquiry
  • Product code: SSC-184809
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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, 1g, 10g, 25g, 100g
  • 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 75344-77-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥98% 4 In Stock Shenzhen Inquiry
1g ≥98% 3 In Stock Hong Kong Inquiry
10g ≥98% 0 Out of Stock Shenzhen Inquiry
25g ≥98% 0 Out of Stock Shenzhen Inquiry
100g ≥98% 0 Out of Stock Hong Kong Inquiry

75344-77-3 / 4-bromo-3,5-dimethylbenzonitrile

Standard CAS: 75344-77-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
75344-77-3
Multi CAS
Yes
Molecular Formula
BC9H8Rn
Molecular Weight
210.070000
Exact Mass
208.984010
InChI
InChI=1S/C9H8BrN/c1-6-3-8(5-11)4-7(2)9(6)10/h3-4H,1-2H3
InChIKey
AVXHSMPHQGFXRG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.22
H-bond acceptors
1
Molar refractivity
48.33
TPSA
23.79

LogP / Solubility

WLOGP
2.94
MLOGP
2.59
XLogP3
3.1
Consensus LogP
2.88
Log S (ESOL)
-3.4
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.4
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.46
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)
-1.92

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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