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CAS 109-50-2 3-Hexyn-2-ol molecular structure lightbox
CAS RN: 109-50-2

3-Hexyn-2-ol

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250514 250mg / 1g / 5g Out of stock 5-7 business days Inquiry
  • Product code: SSC-010186
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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 109-50-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

109-50-2 / hex-3-yn-2-ol

3-HEXYN-2-OL | EINECS 203-676-7 | DTXSID00875614

Standard CAS: 109-50-2 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
109-50-2
Multi CAS
Yes
Molecular Formula
C6H10O
Molecular Weight
98.140000
Exact Mass
98.073165
SMILES
CCC#CC(C)O
InChI
InChI=1S/C6H10O/c1-3-4-5-6(2)7/h6-7H,3H2,1-2H3
InChIKey
IFCAMPHNVKBSTF-UHFFFAOYSA-N
Synonyms
3-HEXYN-2-OL EINECS 203-676-7 DTXSID00875614 RefChem:94040 DTXCID401013735

Computed Properties

Structural Parameters

Heavy atom count
7
Fraction Csp3
0.67
H-bond acceptors
1
H-bond donors
1
Molar refractivity
29.75
TPSA
20.23

LogP / Solubility

WLOGP
0.78
MLOGP
0.67
XLogP3
1
Consensus LogP
0.82
Log S (ESOL)
-0.94
Class (ESOL)
Very soluble
Log S (Ali)
-0.93
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.95
Class (SILICOS-IT)
Very 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)
-2.76

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
2

Safety & Transport

Pictogram(s)
Flammable Environmental Hazard
Signal
Warning
GHS Hazard Statements
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids] H400 (90.7%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
Precautionary Statement Codes
P210, P233, P240, P241, P242, P243, P273, P280, P303+P361+P353, P370+P378, P391, P403+P235, and P501

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