CAS RN: 35148-18-6
9-DODECEN-1-OL,(Z)-
Product Availability
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3 package records2 with current stock1 grade group
- Product code: starshine_CAS35148-18-6
- Purity/Analytical Methods: >99.0%
35148-18-6 / dodec-9-en-1-ol
Basic Information
CAS
35148-18-6
Multi CAS
Yes
Molecular Formula
C12H24O
Molecular Weight
184.320000
Exact Mass
184.182715
InChI
InChI=1S/C12H24O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h3-4,13H,2,5-12H2,1H3/b4-3-
InChIKey
GJNNIRNIXNLOJP-ARJAWSKDSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Fraction Csp3
0.83
Rotatable bonds
9
H-bond acceptors
1
H-bond donors
1
Molar refractivity
58.84
TPSA
20.23
LogP / Solubility
WLOGP
3.68
MLOGP
3.23
XLogP3
4.2
Consensus LogP
3.7
Log S (ESOL)
-2.7
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.73
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.99
Class (SILICOS-IT)
Slightly 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)
-1.23
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: starshine_CAS35153-13-0
- Purity/Analytical method: >99.0%
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