CAS RN: 86654-26-4
7-Hydroxy-3-prenylcoumarin
Product Availability
Choose a grade to view its available package options.
2 package records0 with current stock2 grade groups
- Product code: starshine_CAS86654-26-4
- Purity/Analytical Methods: >99.0%
86654-26-4 / 7-hydroxy-3-(3-methylbut-2-enyl)chromen-2-one
Basic Information
CAS
86654-26-4
Multi CAS
No
Molecular Formula
C14H14O3
Molecular Weight
230.260000
Exact Mass
230.094294
InChI
InChI=1S/C14H14O3/c1-9(2)3-4-11-7-10-5-6-12(15)8-13(10)17-14(11)16/h3,5-8,15H,4H2,1-2H3
InChIKey
BOTVZVKUYCAWMF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
10
Fraction Csp3
0.21
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
67.28
TPSA
50.44
LogP / Solubility
WLOGP
3.01
MLOGP
2.65
XLogP3
3.5
Consensus LogP
3.05
Log S (ESOL)
-3.47
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.62
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.89
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
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
1.5
Customers Also Viewed
-
(S)-TERT-BUTYL 2-(TOSYLOXYMETHYL)PYRROLIDINE-1-CARBOXYLATE
- CAS RN: 86661-32-7
- Product Code: starshine_CAS86661-32-7
- Purity/Analytical method: >99.0%
-
-
(2S)-2-[(tert-butylcarbamoyl)amino]-3-methylbutanoic Acid
- CAS RN: 86674-78-4
- Product Code: SSC-195908
-
NICKEL(II) PEROXIDE HYDRATE
- CAS RN: 86676-91-7
- Product Code: starshine_CAS86676-91-7
- Purity/Analytical method: >99.0%
-
-
![CAS 86674-78-4 (2S)-2-[(tert-butylcarbamoyl)amino]-3-methylbutanoic Acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/86674-78-4.gif)
