CAS RN: 31502-14-4
trans-2-Nonen-1-ol
CAS 31502-14-4, known as trans-2-Nonen-1-ol, is a chemical compound with a molecular formula of C9H18O and a molecular weight of 142.24 . Starshine Chemical supplies premium 31502-14-4 directly from stock, offering flexible packaging sizes and various purity grades (e.g., ≥95%) to meet your exact R&D and manufacturing needs.
- Product code: ICTN0587
- Purity/Analytical Methods: >93.0%(GC)
31502-14-4 / non-2-en-1-ol
Basic Information
CAS
31502-14-4
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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- Product Code: ICTN0469
- Purity/Analytical method: >90.0%(GC)
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