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CAS 17397-29-4 (R)-(-)-5-HEXEN-2-OL molecular structure lightbox
CAS RN: 17397-29-4

(R)-(-)-5-HEXEN-2-OL

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260204 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-076349
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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 17397-29-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

17397-29-4 / (2R)-hex-5-en-2-ol

Standard CAS: 17397-29-4 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
17397-29-4
Multi CAS
No
Molecular Formula
C6H12O
Molecular Weight
100.160000
Exact Mass
100.088815
SMILES
C[C@H](CCC=C)O
InChI
InChI=1S/C6H12O/c1-3-4-5-6(2)7/h3,6-7H,1,4-5H2,2H3/t6-/m1/s1
InChIKey
LNPNXWKVAFKIBX-ZCFIWIBFSA-N

Computed Properties

Structural Parameters

Heavy atom count
7
Fraction Csp3
0.67
Rotatable bonds
3
H-bond acceptors
1
H-bond donors
1
Molar refractivity
31.11
TPSA
20.23

LogP / Solubility

WLOGP
1.33
MLOGP
1.16
XLogP3
1.4
Consensus LogP
1.3
Log S (ESOL)
-1.1
Class (ESOL)
Soluble
Log S (Ali)
-1.34
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.78
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)
-2.38

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
Signal
Warning
GHS Hazard Statements
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
Precautionary Statement Codes
P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501

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