CAS RN: 816456-90-3
Canusesnol A
Product Availability
Choose a grade to view its available package options.
2 package records0 with current stock1 grade group
- Product code: starshine_CAS816456-90-3
- Purity/Analytical Methods: >99.0%
816456-90-3 / (4aS,7S)-7-hydroxy-7-(2-hydroxypropan-2-yl)-1,4a-dimethyl-6,8-dihydro-5H-naphthalen-2-one
Basic Information
CAS
816456-90-3
Multi CAS
Yes
Molecular Formula
C15H22O3
Molecular Weight
250.330000
Exact Mass
250.156895
InChI
InChI=1S/C15H22O3/c1-10-11-9-15(18,13(2,3)17)8-7-14(11,4)6-5-12(10)16/h5-6,17-18H,7-9H2,1-4H3/t14-,15+/m1/s1
InChIKey
GTXZXLMTNCLDCE-CABCVRRESA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Fraction Csp3
0.67
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
70.05
TPSA
57.53
LogP / Solubility
WLOGP
2.13
MLOGP
1.88
XLogP3
1.2
Consensus LogP
1.74
Log S (ESOL)
-2.67
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.15
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.18
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)
-2.73
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5
Customers Also Viewed
-
Potassium 3-(trifluoromethyl)phenyltrifluoroborate
- CAS RN: 816457-58-6
- Product Code: SSC-190032
-
4-((3-methyloxetan-3-yl)methoxy)-2-nitroaniline
- CAS RN: 816463-36-2
- Product Code: SSC-190033
-
8-(benzyloxy)-2-(5-((3-methyloxetan-3-yl)methoxy)-1H-benzo[d]imidazol-1-yl)quinoline
- CAS RN: 816463-37-3
- Product Code: SSC-190034
-
2-(5-((3-methyloxetan-3-yl)methoxy)-1H-benzo[d]imidazol-1-yl)quinolin-8-ol
- CAS RN: 816463-38-4
- Product Code: SSC-190035
-
tert-butyl (1-(2-(5-((3-methyloxetan-3-yl)methoxy)-1H-benzo[d]imidazol-1-yl)quinolin-8-yl)piperidin-4-yl)carbamate
- CAS RN: 816463-40-8
- Product Code: starshine_CAS816463-40-8
- Purity/Analytical method: >99.0%
-
![CAS 816463-37-3 8-(benzyloxy)-2-(5-((3-methyloxetan-3-yl)methoxy)-1H-benzo[d]imidazol-1-yl)quinoline molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/816463-37-3.gif)
![CAS 816463-38-4 2-(5-((3-methyloxetan-3-yl)methoxy)-1H-benzo[d]imidazol-1-yl)quinolin-8-ol molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/816463-38-4.gif)
![CAS 816463-40-8 tert-butyl (1-(2-(5-((3-methyloxetan-3-yl)methoxy)-1H-benzo[d]imidazol-1-yl)quinolin-8-yl)piperidin-4-yl)carbamate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/816463-40-8.gif)
