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CAS 872-17-3 11-CHLORO-1-UNDECENE molecular structure lightbox
CAS RN: 872-17-3

11-CHLORO-1-UNDECENE

  • Product code: SSC-196883
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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: 25g
  • Available purity: ≥97%
  • 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 872-17-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥97% 0 Out of Stock Beijing Inquiry

872-17-3 / 11-chloroundec-1-ene

Standard CAS: 872-17-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
872-17-3
Multi CAS
No
Molecular Formula
C11H21CL
Molecular Weight
188.740000
Exact Mass
188.133178
InChI
InChI=1S/C11H21Cl/c1-2-3-4-5-6-7-8-9-10-11-12/h2H,1,3-11H2
InChIKey
PSEVKFKRYVAODC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Fraction Csp3
0.82
Rotatable bonds
9
Molar refractivity
57.85
TPSA
0.0000

LogP / Solubility

WLOGP
4.53
MLOGP
3.99
XLogP3
5.3
Consensus LogP
4.61
Log S (ESOL)
-3.27
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.38
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.73
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)
-0.65

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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