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CAS 488-10-8 cis-Jasmone molecular structure lightbox
CAS RN: 488-10-8

cis-Jasmone

  • Product code: SSC-155399
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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: 100g
  • Available purity: 90%
  • 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 488-10-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
100g 90% 0 Out of Stock Shenzhen Inquiry

488-10-8 / 3-methyl-2-pent-2-enylcyclopent-2-en-1-one

Standard CAS: 488-10-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
488-10-8
Multi CAS
Yes
Molecular Formula
C11H16O
Molecular Weight
164.240000
Exact Mass
164.120115
InChI
InChI=1S/C11H16O/c1-3-4-5-6-10-9(2)7-8-11(10)12/h4-5H,3,6-8H2,1-2H3
InChIKey
XMLSXPIVAXONDL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Fraction Csp3
0.55
Rotatable bonds
3
H-bond acceptors
1
Molar refractivity
50.99
TPSA
17.07

LogP / Solubility

WLOGP
3.02
MLOGP
2.66
XLogP3
2.2
Consensus LogP
2.63
Log S (ESOL)
-2.56
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.09
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.6
Class (SILICOS-IT)
Poorly 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)
-1.58

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
1.5

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