CAS RN: 2688-49-5
2(3H)-Benzofuranone, 6-hydroxy-
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.20260312 | 1mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS2688-49-5
- Purity/Analytical Methods: >99.0%
2688-49-5 / 6-hydroxy-3H-1-benzofuran-2-one
Basic Information
CAS
2688-49-5
Multi CAS
No
Molecular Formula
C8H6O3
Molecular Weight
150.130000
Exact Mass
150.031694
SMILES
C1C2=C(C=C(C=C2)O)OC1=O
InChI
InChI=1S/C8H6O3/c9-6-2-1-5-3-8(10)11-7(5)4-6/h1-2,4,9H,3H2
InChIKey
TYKJBKYXUNXYFS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.12
H-bond acceptors
3
H-bond donors
1
Molar refractivity
37.45
TPSA
46.53
LogP / Solubility
WLOGP
0.85
MLOGP
0.75
XLogP3
1
Consensus LogP
0.87
Log S (ESOL)
-1.71
Class (ESOL)
Soluble
Log S (Ali)
-1.41
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.34
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)
-3.03
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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