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CAS 51655-39-1 2-Bromo-4,5-dimethoxyphenylacetonitrile molecular structure lightbox
CAS RN: 51655-39-1

2-Bromo-4,5-dimethoxyphenylacetonitrile

Product Availability

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250131 100g In stock Inquiry
Batchno.20260405 1g In stock Inquiry
Batchno.20251229 25g In stock Inquiry
Batchno.20260225 5g In stock Inquiry
  • Product code: SSC-158594
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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: 10g
  • 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 51655-39-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
10g ＞97% 0 Out of Stock Shenzhen Inquiry

51655-39-1 / 2-(2-bromo-4,5-dimethoxyphenyl)acetonitrile

Standard CAS: 51655-39-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
51655-39-1
Multi CAS
Yes
Molecular Formula
BC10H10O2Rn
Molecular Weight
256.100000
Exact Mass
254.989490
InChI
InChI=1S/C10H10BrNO2/c1-13-9-5-7(3-4-12)8(11)6-10(9)14-2/h5-6H,3H2,1-2H3
InChIKey
OYPMCZMEPRFUFJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
56.56
TPSA
42.25

LogP / Solubility

WLOGP
2.53
MLOGP
2.24
XLogP3
2.2
Consensus LogP
2.32
Log S (ESOL)
-3.14
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.49
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.79
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.48

Drug-likeness / Medicinal Chemistry

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

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