CAS RN: 67765-59-7
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260123 | 5mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS67765-59-7
- Purity/Analytical Methods: >99.0%
67765-59-7 / (6S,7aR)-6-hydroxy-7,7a-dihydro-6H-1-benzofuran-2-one
Basic Information
CAS
67765-59-7
Multi CAS
Yes
Molecular Formula
C8H8O3
Molecular Weight
152.150000
Exact Mass
152.047344
InChI
InChI=1S/C8H8O3/c9-6-2-1-5-3-8(10)11-7(5)4-6/h1-3,6-7,9H,4H2/t6-,7-/m1/s1
InChIKey
RAXNUTINVDSFEU-RNFRBKRXSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Fraction Csp3
0.38
H-bond acceptors
3
H-bond donors
1
Molar refractivity
37.73
TPSA
46.53
LogP / Solubility
WLOGP
0.16
MLOGP
0.13
XLogP3
-0.1
Consensus LogP
0.06
Log S (ESOL)
-0.88
Class (ESOL)
Very soluble
Log S (Ali)
-0.92
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.78
Class (SILICOS-IT)
Very 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)
-3.54
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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