CAS RN: 16423-19-1
(+/-)-GEOSMIN
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1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20250212 | 1ml | In stock | Inquiry |
- Product code: starshine_CAS16423-19-1
- Purity/Analytical Methods: >99.0%
16423-19-1 / (4R,4aR,8aS)-4,8a-dimethyl-1,2,3,4,5,6,7,8-octahydronaphthalen-4a-ol
Basic Information
CAS
16423-19-1
Multi CAS
No
Molecular Formula
C12H22O
Molecular Weight
182.300000
Exact Mass
182.167065
SMILES
C[C@@H]1CCC[C@]2([C@]1(CCCC2)O)C
InChI
InChI=1S/C12H22O/c1-10-6-5-8-11(2)7-3-4-9-12(10,11)13/h10,13H,3-9H2,1-2H3/t10-,11+,12-/m1/s1
InChIKey
JLPUXFOGCDVKGO-GRYCIOLGSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Fraction Csp3
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
54.54
TPSA
20.23
LogP / Solubility
WLOGP
3.12
MLOGP
2.74
XLogP3
3.3
Consensus LogP
3.05
Log S (ESOL)
-2.93
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.31
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.43
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)
-1.62
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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