CAS RN: 26146-27-0
Lindeneol
Product Availability
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2 package records0 with current stock2 grade groups
- Product code: starshine_CAS26146-27-0
- Purity/Analytical Methods: >99.0%
26146-27-0 / (1S,2R,9S,10R,12S)-4,9-dimethyl-13-methylidene-6-oxatetracyclo[7.4.0.03,7.010,12]trideca-3(7),4-dien-2-ol
Basic Information
CAS
26146-27-0
Multi CAS
No
Molecular Formula
C15H18O2
Molecular Weight
230.300000
Exact Mass
230.130680
SMILES
CC1=COC2=C1[C@@H]([C@H]3C(=C)[C@H]4C[C@H]4[C@@]3(C2)C)O
InChI
InChI=1S/C15H18O2/c1-7-6-17-11-5-15(3)10-4-9(10)8(2)13(15)14(16)12(7)11/h6,9-10,13-14,16H,2,4-5H2,1,3H3/t9-,10-,13-,14+,15+/m1/s1
InChIKey
XRDJYSVGPBJZSG-PSDLAXTLSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
5
Fraction Csp3
0.6
H-bond acceptors
2
H-bond donors
1
Molar refractivity
64.44
TPSA
33.37
LogP / Solubility
WLOGP
3.01
MLOGP
2.65
XLogP3
2.1
Consensus LogP
2.59
Log S (ESOL)
-3.38
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.62
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)
-1.99
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4.5
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