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CAS 616-25-1 1-Penten-3-ol molecular structure lightbox
CAS RN: 616-25-1

1-Penten-3-ol

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250516 5g / 25g / 100g / 500g / 1kg Confirm by inquiry Shanghai, Hebei, Shandong Inquiry
  • Product code: SSC-170535
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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: 100ml
  • 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 616-25-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
100ml ≥97% 0 Out of Stock Hong Kong Inquiry

616-25-1 / pent-1-en-3-ol

Standard CAS: 616-25-1 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
616-25-1
Multi CAS
Yes
Molecular Formula
C5H10O
Molecular Weight
86.130000
Exact Mass
86.073165
InChI
InChI=1S/C5H10O/c1-3-5(6)4-2/h3,5-6H,1,4H2,2H3
InChIKey
VHVMXWZXFBOANQ-UHFFFAOYSA-N

Physical Properties

Boiling Point
114.00 °C. @ 760.00 mm Hg
Density
0.831-0.837
Physical Description
Colorless liquid; Colourless, mobile liquid; powerful, grassy-green odour
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
6
Fraction Csp3
0.6
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
26.49
TPSA
20.23

LogP / Solubility

WLOGP
0.94
MLOGP
0.82
XLogP3
1.1
Consensus LogP
0.95
Log S (ESOL)
-0.84
Class (ESOL)
Very soluble
Log S (Ali)
-0.95
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1.24
Class (SILICOS-IT)
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)
-2.58

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

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