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CAS 2345-26-8 GERANYL ISOBUTYRATE molecular structure lightbox
CAS RN: 2345-26-8

GERANYL ISOBUTYRATE

  • Product code: SSC-113282
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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: ＞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 2345-26-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ＞95% 0 Out of Stock Shanghai Inquiry

2345-26-8 / 3,7-dimethylocta-2,6-dienyl 2-methylpropanoate

Standard CAS: 2345-26-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
2345-26-8
Multi CAS
Yes
Molecular Formula
C14H24O2
Molecular Weight
224.340000
Exact Mass
224.177630
InChI
InChI=1S/C14H24O2/c1-11(2)7-6-8-13(5)9-10-16-14(15)12(3)4/h7,9,12H,6,8,10H2,1-5H3
InChIKey
OGJYXQFXLSCKTP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Fraction Csp3
0.64
Rotatable bonds
6
H-bond acceptors
2
Molar refractivity
68.22
TPSA
26.3

LogP / Solubility

WLOGP
3.88
MLOGP
3.42
XLogP3
4.5
Consensus LogP
3.93
Log S (ESOL)
-3.28
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.2
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.06
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.33

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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