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CAS 598-18-5 2-bromopropan-1-ol molecular structure lightbox
CAS RN: 598-18-5

2-bromopropan-1-ol

  • Product code: SSC-168351
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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: ≥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 598-18-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥97% 0 Out of Stock Beijing Inquiry

598-18-5 / 2-bromopropan-1-ol

Standard CAS: 598-18-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
598-18-5
Multi CAS
No
Molecular Formula
C3H7BRO
Molecular Weight
138.990000
Exact Mass
137.968030
InChI
InChI=1S/C3H7BrO/c1-3(4)2-5/h3,5H,2H2,1H3
InChIKey
DBTWOTKWIVISQR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
5
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
25.47
TPSA
20.23

LogP / Solubility

WLOGP
0.76
MLOGP
0.66
XLogP3
0.7
Consensus LogP
0.71
Log S (ESOL)
-1.12
Class (ESOL)
Soluble
Log S (Ali)
-1.25
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.32
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
1.5

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