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CAS 284474-43-7 3-BROMO-1-PROPAN-D6-OL molecular structure lightbox
CAS RN: 284474-43-7

3-BROMO-1-PROPAN-D6-OL

  • Product code: SSC-129696
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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: 0.1g, 0.25g, 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 284474-43-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Shenzhen Inquiry
0.25g ≥95% 0 Out of Stock Hong Kong Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

284474-43-7 / 3-bromo-1,1,2,2,3,3-hexadeuteriopropan-1-ol

Standard CAS: 284474-43-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
284474-43-7
Multi CAS
Yes
Molecular Formula
C3H7BRO
Molecular Weight
145.030000
Exact Mass
144.005690
InChI
InChI=1S/C3H7BrO/c4-2-1-3-5/h5H,1-3H2/i1D2,2D2,3D2
InChIKey
RQFUZUMFPRMVDX-NMFSSPJFSA-N

Computed Properties

Structural Parameters

Heavy atom count
5
Fraction Csp3
1
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
25.5
TPSA
20.23

LogP / Solubility

WLOGP
0.76
MLOGP
0.66
XLogP3
0.7
Consensus LogP
0.71
Log S (ESOL)
-1.05
Class (ESOL)
Soluble
Log S (Ali)
-1.25
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.44
Class (SILICOS-IT)
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)
-3.03

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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