CAS RN: 2445-80-9
7,8-dimethoxycoumarin
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20251228 | 10mg | Out of stock | Inquiry |
- Product code: starshine_CAS2445-80-9
- Purity/Analytical Methods: >99.0%
2445-80-9 / 7,8-dimethoxychromen-2-one
Basic Information
CAS
2445-80-9
Multi CAS
No
Molecular Formula
C11H10O4
Molecular Weight
206.190000
Exact Mass
206.057909
SMILES
COC1=C(C2=C(C=C1)C=CC(=O)O2)OC
InChI
InChI=1S/C11H10O4/c1-13-8-5-3-7-4-6-9(12)15-10(7)11(8)14-2/h3-6H,1-2H3
InChIKey
CHBBSMUTOCUVDW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
10
Fraction Csp3
0.18
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
55.59
TPSA
48.67
LogP / Solubility
WLOGP
1.81
MLOGP
1.59
XLogP3
1.9
Consensus LogP
1.77
Log S (ESOL)
-2.62
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.56
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.74
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)
-2.69
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
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