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CAS 41453-56-9 cis-2-Nonen-1-ol molecular structure lightbox
CAS RN: 41453-56-9

cis-2-Nonen-1-ol

  • Product code: SSC-149891
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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: 10ml
  • Available purity: ≥98%
  • 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 41453-56-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
10ml ≥98% 0 Out of Stock Shenzhen Inquiry

41453-56-9 / non-2-en-1-ol

Standard CAS: 41453-56-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
41453-56-9
Multi CAS
Yes
Molecular Formula
C9H18O
Molecular Weight
142.240000
Exact Mass
142.135765
InChI
InChI=1S/C9H18O/c1-2-3-4-5-6-7-8-9-10/h7-8,10H,2-6,9H2,1H3
InChIKey
NSSALFVIQPAIQK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
0.78
Rotatable bonds
6
H-bond acceptors
1
H-bond donors
1
Molar refractivity
44.98
TPSA
20.23

LogP / Solubility

WLOGP
2.51
MLOGP
2.2
XLogP3
3
Consensus LogP
2.57
Log S (ESOL)
-1.9
Class (ESOL)
Soluble
Log S (Ali)
-2.54
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.38
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)
-1.81

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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