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CAS 71317-72-1 11-Bromo-1-undecyne molecular structure lightbox
CAS RN: 71317-72-1

11-Bromo-1-undecyne

  • Product code: SSC-180961
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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 71317-72-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

71317-72-1 / 11-bromoundec-1-yne

Standard CAS: 71317-72-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
71317-72-1
Multi CAS
Yes
Molecular Formula
C11H19BR
Molecular Weight
231.170000
Exact Mass
230.067010
InChI
InChI=1S/C11H19Br/c1-2-3-4-5-6-7-8-9-10-11-12/h1H,3-11H2
InChIKey
DMAQFVRPONMOMR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Fraction Csp3
0.82
Rotatable bonds
8
Molar refractivity
59.56
TPSA
0.0000

LogP / Solubility

WLOGP
4.14
MLOGP
3.64
XLogP3
5.5
Consensus LogP
4.43
Log S (ESOL)
-3.35
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.44
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.55
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.19

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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