CAS RN: 4115-76-8
7-HYDROXY-4,8-DIMETHYLCOUMARIN
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260414 | 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS4115-76-8
- Purity/Analytical Methods: >99.0%
4115-76-8 / 7-hydroxy-4,8-dimethylchromen-2-one
Basic Information
CAS
4115-76-8
Multi CAS
Yes
Molecular Formula
C11H10O3
Molecular Weight
190.190000
Exact Mass
190.062994
InChI
InChI=1S/C11H10O3/c1-6-5-10(13)14-11-7(2)9(12)4-3-8(6)11/h3-5,12H,1-2H3
InChIKey
MVMMGVPSTRNMSV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
10
Fraction Csp3
0.18
H-bond acceptors
3
H-bond donors
1
Molar refractivity
53.62
TPSA
50.44
LogP / Solubility
WLOGP
2.12
MLOGP
1.86
XLogP3
1.8
Consensus LogP
1.93
Log S (ESOL)
-2.88
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.65
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.65
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.38
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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