CAS RN: 1843-90-9
2,3-DIHYDRO-8-HYDROXY-4H-1-BENZOPYRAN-4-ONE
Product Availability
Choose a grade to view its available package options.
5 package records5 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250107 | 100mg | In stock | Shanghai | Inquiry |
| Batchno.20250325 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
| Batchno.20250126 | 1g | In stock | Shanghai | Inquiry |
| Batchno.20260611 | 250mg | In stock | Shanghai | Inquiry |
| Batchno.20250205 | 50mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS1843-90-9
- Purity/Analytical Methods: >99.0%
1843-90-9 / 8-hydroxy-2,3-dihydrochromen-4-one
Basic Information
CAS
1843-90-9
Multi CAS
No
Molecular Formula
C9H8O3
Molecular Weight
164.160000
Exact Mass
164.047344
SMILES
C1COC2=C(C1=O)C=CC=C2O
InChI
InChI=1S/C9H8O3/c10-7-4-5-12-9-6(7)2-1-3-8(9)11/h1-3,11H,4-5H2
InChIKey
CTRTZLJYANJCHF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.22
H-bond acceptors
3
H-bond donors
1
Molar refractivity
42.55
TPSA
46.53
LogP / Solubility
WLOGP
1.36
MLOGP
1.19
XLogP3
1
Consensus LogP
1.18
Log S (ESOL)
-2.08
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.89
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.85
Class (SILICOS-IT)
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)
-2.76
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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