CAS RN: 81485-25-8
Polyprenic
Product Availability
Choose a grade to view its available package options.
8 package records8 with current stock2 grade groups
- Product code: starshine_CAS81485-25-8
- Purity/Analytical Methods: >99.0%
81485-25-8 / 3,7,11,15-tetramethylhexadeca-2,4,6,10,14-pentaenoic acid
Basic Information
CAS
81485-25-8
Multi CAS
Yes
Molecular Formula
C20H30O2
Molecular Weight
302.500000
Exact Mass
302.224580
InChI
InChI=1S/C20H30O2/c1-16(2)9-6-10-17(3)11-7-12-18(4)13-8-14-19(5)15-20(21)22/h8-9,11,13-15H,6-7,10,12H2,1-5H3,(H,21,22)/b14-8+,17-11+,18-13+,19-15+
InChIKey
UUBHZHZSIKRVIV-KCXSXWJSSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Fraction Csp3
0.45
Rotatable bonds
9
H-bond acceptors
1
H-bond donors
1
Molar refractivity
95.95
TPSA
37.3
LogP / Solubility
WLOGP
5.99
MLOGP
5.29
XLogP3
6.9
Consensus LogP
6.06
Log S (ESOL)
-4.9
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.37
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.68
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.31
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
Customers Also Viewed
-
2-METHYL-1,2,3,4-TETRAHYDROQUINOLIN-8-OL HYDROCHLORIDE
- CAS RN: 81485-78-1
- Product Code: SSC-189913
-
3,4-dihydro-2H-chromene-3,8-diol
- CAS RN: 81486-17-1
- Product Code: starshine_CAS81486-17-1
- Purity/Analytical method: >99.0%
-
3,4-Dihydro-2H-1-benzopyran-3,8-diol 3-nitrate
- CAS RN: 81486-20-6
- Product Code: SSC-189914
-
-
-
1-Hydroxypinoresinol 1-O-glucoside
- CAS RN: 81495-71-8
- Product Code: starshine_CAS81495-71-8
- Purity/Analytical method: >99.0%
![CAS 81487-04-9 exo-8-Methyl-3-aMino-azabicyclo[3.2.1]octane molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/81487-04-9.gif)
