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CAS 55666-43-8 T-BUTYL 3-BROMOPROPIONATE 97 molecular structure lightbox
CAS RN: 55666-43-8

T-BUTYL 3-BROMOPROPIONATE 97

  • Product code: SSC-163585
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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, 1g, 5g, 10g, 100g, 25g, 500g
  • Available purity: >97%
  • Inventory rows with stock: 6
  • 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 55666-43-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g >97% 5 In Stock Shanghai Inquiry
1g >97% 5 In Stock Beijing Inquiry
5g >97% 5 In Stock Hong Kong Inquiry
10g >97% 5 In Stock Shanghai Inquiry
100g >97% 5 In Stock Beijing Inquiry
25g >97% 2 In Stock Hong Kong Inquiry
500g >97% 0 Out of Stock Shanghai Inquiry

55666-43-8 / tert-butyl 3-bromopropanoate

Standard CAS: 55666-43-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
55666-43-8
Multi CAS
Yes
Molecular Formula
C7H13BRO2
Molecular Weight
209.080000
Exact Mass
208.009890
InChI
InChI=1S/C7H13BrO2/c1-7(2,3)10-6(9)4-5-8/h4-5H2,1-3H3
InChIKey
RMWVUWLBLWBQDS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
0.86
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
44.26
TPSA
26.3

LogP / Solubility

WLOGP
2.11
MLOGP
1.86
XLogP3
1.8
Consensus LogP
1.92
Log S (ESOL)
-2.34
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.8
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.01
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)
-2.5

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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