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CAS 71084-08-7 9-DODECYN-1-OL molecular structure lightbox
CAS RN: 71084-08-7

9-DODECYN-1-OL

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250312 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-180760
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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: ≥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 71084-08-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥95% 0 Out of Stock Shenzhen Inquiry

71084-08-7 / dodec-9-yn-1-ol

Standard CAS: 71084-08-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
71084-08-7
Multi CAS
No
Molecular Formula
C12H22O
Molecular Weight
182.300000
Exact Mass
182.167065
InChI
InChI=1S/C12H22O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h13H,2,5-12H2,1H3
InChIKey
MIDXCKJJIFQOLT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Fraction Csp3
0.83
Rotatable bonds
7
H-bond acceptors
1
H-bond donors
1
Molar refractivity
57.47
TPSA
20.23

LogP / Solubility

WLOGP
3.12
MLOGP
2.75
XLogP3
3.9
Consensus LogP
3.26
Log S (ESOL)
-2.48
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.31
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.28
Class (SILICOS-IT)
Slightly 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)
-1.61

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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