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CAS 40630-86-2 2-Propyn-1-yl 2-Bromo-2-methylpropanoate molecular structure lightbox
CAS RN: 40630-86-2

2-Propyn-1-yl 2-Bromo-2-methylpropanoate

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20260224 1g Out of stock Inquiry
  • Product code: SSC-148925
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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: ≥95%
  • 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 40630-86-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

40630-86-2 / prop-2-ynyl 2-bromo-2-methylpropanoate

Standard CAS: 40630-86-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
40630-86-2
Multi CAS
No
Molecular Formula
C7H9BRO2
Molecular Weight
205.050000
Exact Mass
203.978590
InChI
InChI=1S/C7H9BrO2/c1-4-5-10-6(9)7(2,3)8/h1H,5H2,2-3H3
InChIKey
XTILOBFYTKJHJZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
0.57
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
42.8
TPSA
26.3

LogP / Solubility

WLOGP
1.34
MLOGP
1.18
XLogP3
1.6
Consensus LogP
1.37
Log S (ESOL)
-1.82
Class (ESOL)
Soluble
Log S (Ali)
-2.21
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.34
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)
-3.02

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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