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CAS 2198099-00-0 Oxetane, 2-(bromomethyl)-, (2S)- molecular structure lightbox
CAS RN: 2198099-00-0

Oxetane, 2-(bromomethyl)-, (2S)-

  • Product code: SSC-105722
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 1g, 0.1g, 0.25g, 5g
  • Available purity: >95%
  • Inventory rows with stock: 4
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 2198099-00-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >95% 3 In Stock Shenzhen Inquiry
0.1g >95% 1 In Stock Beijing Inquiry
0.25g >95% 1 In Stock Hong Kong Inquiry
5g >95% 1 In Stock Shanghai Inquiry

2198099-00-0 / (2S)-2-(bromomethyl)oxetane

Standard CAS: 2198099-00-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2198099-00-0
Multi CAS
No
Molecular Formula
C4H7BrO
Molecular Weight
151.000000
Exact Mass
149.968030
SMILES
C1CO[C@@H]1CBr
InChI
InChI=1S/C4H7BrO/c5-3-4-1-2-6-4/h4H,1-3H2/t4-/m0/s1
InChIKey
OMXAGUVERXNCSZ-BYPYZUCNSA-N

Computed Properties

Structural Parameters

Heavy atom count
6
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
28.15
TPSA
9.23

LogP / Solubility

WLOGP
1.17
MLOGP
1.02
XLogP3
1
Consensus LogP
1.06
Log S (ESOL)
-1.45
Class (ESOL)
Soluble
Log S (Ali)
-1.64
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.73
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)
-2.81

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
2

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