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CAS 22306-36-1 1-BROMO-3-IODOPROPANE molecular structure lightbox
CAS RN: 22306-36-1

1-BROMO-3-IODOPROPANE

  • Product code: SSC-108616
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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, 5g, 10g, 25g
  • 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 22306-36-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥98% 0 Out of Stock Beijing Inquiry
5g ≥98% 0 Out of Stock Shanghai Inquiry
10g ≥98% 0 Out of Stock Hong Kong Inquiry
25g ≥98% 0 Out of Stock Hong Kong Inquiry

22306-36-1 / 1-bromo-3-iodopropane

Standard CAS: 22306-36-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
22306-36-1
Multi CAS
No
Molecular Formula
C3H6BrI
Molecular Weight
248.890000
Exact Mass
247.869760
SMILES
C(CBr)CI
InChI
InChI=1S/C3H6BrI/c4-2-1-3-5/h1-3H2
InChIKey
ITCHTIHSVATQQI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
5
Fraction Csp3
1
Rotatable bonds
2
Molar refractivity
37.3
TPSA
0.0000

LogP / Solubility

WLOGP
2.21
MLOGP
1.95
XLogP3
2.4
Consensus LogP
2.19
Log S (ESOL)
-2.64
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.19
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.35
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)
-2.67

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

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