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CAS 6809-52-5 Teprenone [mixture of (5E,9E,13E)- and (5Z,9E,13E)- isomers] molecular structure lightbox
CAS RN: 6809-52-5

Teprenone [mixture of (5E,9E,13E)- and (5Z,9E,13E)- isomers]

  • Product code: SSC-177793
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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 6809-52-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

6809-52-5 / (5E,9E,13E)-6,10,14,18-tetramethylnonadeca-5,9,13,17-tetraen-2-one

Standard CAS: 6809-52-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
6809-52-5
Multi CAS
Yes
Molecular Formula
C23H38O
Molecular Weight
330.500000
Exact Mass
330.292266
InChI
InChI=1S/C23H38O/c1-19(2)11-7-12-20(3)13-8-14-21(4)15-9-16-22(5)17-10-18-23(6)24/h11,13,15,17H,7-10,12,14,16,18H2,1-6H3/b20-13+,21-15+,22-17+
InChIKey
HUCXKZBETONXFO-NJFMWZAGSA-N

Computed Properties

Structural Parameters

Heavy atom count
24
Fraction Csp3
0.61
Rotatable bonds
12
H-bond acceptors
1
Molar refractivity
108.32
TPSA
17.07

LogP / Solubility

WLOGP
7.5
MLOGP
6.62
XLogP3
7.4
Consensus LogP
7.17
Log S (ESOL)
-5.82
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.69
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.47
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
0.59

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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