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CAS 29205-50-3 3-(2-bromoethyl)-3-methyl-3H-diazirine molecular structure lightbox
CAS RN: 29205-50-3

3-(2-bromoethyl)-3-methyl-3H-diazirine

Product Availability

Choose a grade to view its available package options.

6 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251106 100mg In stock Shanghai, Tianjin Inquiry
Batchno.20250622 1g Out of stock Inquiry
Batchno.20250118 250mg In stock Shanghai Inquiry
Batchno.20250726 25mg In stock Shanghai Inquiry
Batchno.20251007 25mg / 50mg / 100mg / 250mg Out of stock 5-7 business days Inquiry
Batchno.20250701 50mg In stock Shanghai Inquiry
  • Product code: SSC-131637
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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
  • Available purity: ≥95%
  • 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 29205-50-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

29205-50-3 / 3-(2-bromoethyl)-3-methyldiazirine

Standard CAS: 29205-50-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
29205-50-3
Multi CAS
No
Molecular Formula
BC4H7Rn2
Molecular Weight
163.020000
Exact Mass
161.979260
InChI
InChI=1S/C4H7BrN2/c1-4(2-3-5)6-7-4/h2-3H2,1H3
InChIKey
WFYMPPCLRKCDPF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
7
Fraction Csp3
1
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
31.67
TPSA
24.72

LogP / Solubility

WLOGP
1.95
MLOGP
1.71
XLogP3
1.6
Consensus LogP
1.75
Log S (ESOL)
-1.95
Class (ESOL)
Soluble
Log S (Ali)
-2.31
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.58
Class (SILICOS-IT)
Moderately 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)
-2.33

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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