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CAS 4677-20-7 4-(2-Bromoethyl)-tetrahydropyran molecular structure lightbox
CAS RN: 4677-20-7

4-(2-Bromoethyl)-tetrahydropyran

  • Product code: SSC-153998
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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: 0.25g, 0.1g, 1g, 5g
  • Available purity: >95%
  • Inventory rows with stock: 2
  • 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 4677-20-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g -- 1 In Stock Beijing Inquiry
0.25g >95% 1 In Stock Shenzhen Inquiry
0.1g -- 0 Out of Stock Beijing Inquiry
0.1g >95% 0 Out of Stock Beijing Inquiry
1g -- 0 Out of Stock Shenzhen Inquiry
1g >95% 0 Out of Stock Shanghai Inquiry
5g -- 0 Out of Stock Shenzhen Inquiry
5g >95% 0 Out of Stock Shenzhen Inquiry

4677-20-7 / 4-(2-bromoethyl)oxane

Standard CAS: 4677-20-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
4677-20-7
Multi CAS
No
Molecular Formula
C7H13BRO
Molecular Weight
193.080000
Exact Mass
192.014980
InChI
InChI=1S/C7H13BrO/c8-4-1-7-2-5-9-6-3-7/h7H,1-6H2
InChIKey
WPDAWFCZGSQOPZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
1
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
41.95
TPSA
9.23

LogP / Solubility

WLOGP
2.2
MLOGP
1.93
XLogP3
1.9
Consensus LogP
2.01
Log S (ESOL)
-2.29
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.73
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.98
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)
-2.34

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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