CAS RN: 488138-32-5
6(2H)-Benzofuranone,4-ethoxyhexahydro-3a-hydroxy-,(3aR,4S,7aR)-rel-(-)-(9CI)
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.20250719 | 5mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS488138-32-5
- Purity/Analytical Methods: >99.0%
488138-32-5 / (3aS,4S,7aS)-4-ethoxy-3a-hydroxy-2,3,4,5,7,7a-hexahydro-1-benzofuran-6-one
Basic Information
CAS
488138-32-5
Multi CAS
No
Molecular Formula
C10H16O4
Molecular Weight
200.230000
Exact Mass
200.104859
InChI
InChI=1S/C10H16O4/c1-2-13-8-5-7(11)6-9-10(8,12)3-4-14-9/h8-9,12H,2-6H2,1H3/t8-,9-,10-/m0/s1
InChIKey
ZAEAITRXNOLOMQ-GUBZILKMSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Fraction Csp3
0.9
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
48.96
TPSA
55.76
LogP / Solubility
WLOGP
0.27
MLOGP
0.24
XLogP3
-0.8
Consensus LogP
-0.1
Log S (ESOL)
-1.12
Class (ESOL)
Soluble
Log S (Ali)
-1.4
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.43
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)
-3.75
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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