[email protected]
CAS 5146-66-7 Geranyl Nitrile [mixture of (E)- and (Z)- isomers, (1:1)] molecular structure lightbox
CAS RN: 5146-66-7

Geranyl Nitrile [mixture of (E)- and (Z)- isomers, (1:1)]

  • Product code: SSC-158297
GET A QUOTE
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: 25ml
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

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 5146-66-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
25ml ≥95% 0 Out of Stock Shanghai Inquiry

5146-66-7 / 3,7-dimethylocta-2,6-dienenitrile

Standard CAS: 5146-66-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
5146-66-7
Multi CAS
Yes
Molecular Formula
C10H15N
Molecular Weight
149.230000
Exact Mass
149.120449
InChI
InChI=1S/C10H15N/c1-9(2)5-4-6-10(3)7-8-11/h5,7H,4,6H2,1-3H3
InChIKey
HLCSDJLATUNSSI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
0.5
Rotatable bonds
3
H-bond acceptors
1
Molar refractivity
48.04
TPSA
23.79

LogP / Solubility

WLOGP
3.2
MLOGP
2.81
XLogP3
3.3
Consensus LogP
3.1
Log S (ESOL)
-2.58
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.1
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.65
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)
-1.36

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

Customers Also Viewed

Get In Touch

Contact Us