CAS RN: 1255206-71-3
(S)-4-methyl-5-(oxiran-2-yl)isobenzofuran-1(3H)-one
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.20251115 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1255206-71-3
- Purity/Analytical Methods: >99.0%
1255206-71-3 / 4-methyl-5-[(2S)-oxiran-2-yl]-3H-2-benzofuran-1-one
Basic Information
CAS
1255206-71-3
Multi CAS
No
Molecular Formula
C11H10O3
Molecular Weight
190.190000
Exact Mass
190.062994
SMILES
CC1=C(C=CC2=C1COC2=O)[C@H]3CO3
InChI
InChI=1S/C11H10O3/c1-6-7(10-5-13-10)2-3-8-9(6)4-14-11(8)12/h2-3,10H,4-5H2,1H3/t10-/m1/s1
InChIKey
YQLAZVRXBCSLAI-SNVBAGLBSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
48.99
TPSA
38.83
LogP / Solubility
WLOGP
1.74
MLOGP
1.53
XLogP3
1.2
Consensus LogP
1.49
Log S (ESOL)
-2.36
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.37
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.46
Class (SILICOS-IT)
Moderately 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)
-2.65
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
2
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