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CAS RN: 8007-80-5

CINNAMOMUM CASSIA LEAF OIL

  • Product code: SSC-189078
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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: 25g
  • Available purity: >75%
  • 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 8007-80-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g >75% 0 Out of Stock Shanghai Inquiry

8007-80-5 / 2-methoxy-4-prop-2-enylphenol;[(E)-prop-1-enyl]benzene

Standard CAS: 8007-80-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
8007-80-5
Multi CAS
Yes
Molecular Formula
C19H22O2
Molecular Weight
282.400000
Exact Mass
282.161980
InChI
InChI=1S/C10H12O2.C9H10/c1-3-4-8-5-6-9(11)10(7-8)12-2;1-2-6-9-7-4-3-5-8-9/h3,5-7,11H,1,4H2,2H3;2-8H,1H3/b;6-2+
InChIKey
JKTRXPUEIZZFGE-RPPWHJSFSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
12
Fraction Csp3
0.16
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
1
Molar refractivity
89.71
TPSA
29.46

LogP / Solubility

WLOGP
4.85
MLOGP
4.28
XLogP3
4.85
Consensus LogP
4.66
Log S (ESOL)
-4.8
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.38
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1

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
2.5

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