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CAS 39149-80-9 tert-Butyl 2-Bromopropionate molecular structure lightbox
CAS RN: 39149-80-9

tert-Butyl 2-Bromopropionate

Product Availability

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4 package records3 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250621 100g In stock Inquiry
Batchno.20260322 25g In stock Inquiry
Batchno.20250209 500g Out of stock Inquiry
Batchno.20250725 5g In stock Inquiry
  • Product code: SSC-146772
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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: 5g, 10g, 25g, 100g, 500g, 1000g
  • Available purity: >98%
  • Inventory rows with stock: 5
  • 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 39149-80-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g >98% 5 In Stock Hong Kong Inquiry
10g >98% 5 In Stock Beijing Inquiry
25g >98% 5 In Stock Shenzhen Inquiry
100g >98% 5 In Stock Shenzhen Inquiry
500g >98% 1 In Stock Hong Kong Inquiry
1000g >98% 0 Out of Stock Shenzhen Inquiry

39149-80-9 / tert-butyl 2-bromopropanoate

Standard CAS: 39149-80-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
39149-80-9
Multi CAS
No
Molecular Formula
C7H13BRO2
Molecular Weight
209.080000
Exact Mass
208.009890
InChI
InChI=1S/C7H13BrO2/c1-5(8)6(9)10-7(2,3)4/h5H,1-4H3
InChIKey
CVAWKJKISIPBOD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
0.86
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
44.23
TPSA
26.3

LogP / Solubility

WLOGP
2.11
MLOGP
1.86
XLogP3
2.3
Consensus LogP
2.09
Log S (ESOL)
-2.4
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.8
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.89
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)
-2.5

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
2

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