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CAS 39886-76-5 6-GINGEROL,(+/-) molecular structure lightbox
CAS RN: 39886-76-5

6-GINGEROL,(+/-)

  • Product code: SSC-147658
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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: 0.25g
  • 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 39886-76-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Hong Kong Inquiry

39886-76-5 / 5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)decan-3-one

Standard CAS: 39886-76-5 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
39886-76-5
Multi CAS
No
Molecular Formula
C17H26O4
Molecular Weight
294.400000
Exact Mass
294.183109
InChI
InChI=1S/C17H26O4/c1-3-4-5-6-14(18)12-15(19)9-7-13-8-10-16(20)17(11-13)21-2/h8,10-11,14,18,20H,3-7,9,12H2,1-2H3
InChIKey
NLDDIKRKFXEWBK-UHFFFAOYSA-N

Physical Properties

Melting Point
30 - 32 °C
Physical Description
Solid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
6
Fraction Csp3
0.59
Rotatable bonds
10
H-bond acceptors
4
H-bond donors
2
Molar refractivity
82.75
TPSA
66.76

LogP / Solubility

WLOGP
3.23
MLOGP
2.86
XLogP3
2.5
Consensus LogP
2.86
Log S (ESOL)
-3.25
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.31
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.46
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)
-2.22

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3

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