![CAS 521323-11-5 2H-Cyclopenta[b]furan-2-one,hexahydro-5-hydroxy-4-(hydroxymethyl)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/521323-11-5.gif)
CAS RN: 521323-11-5
2H-Cyclopenta[b]furan-2-one,hexahydro-5-hydroxy-4-(hydroxymethyl)-
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250622 | 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS521323-11-5
- Purity/Analytical Methods: >99.0%
521323-11-5 / 5-hydroxy-4-(hydroxymethyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
Basic Information
CAS
521323-11-5
Multi CAS
No
Molecular Formula
C8H12O4
Molecular Weight
172.180000
Exact Mass
172.073559
InChI
InChI=1S/C8H12O4/c9-3-5-4-1-8(11)12-7(4)2-6(5)10/h4-7,9-10H,1-3H2
InChIKey
VYTZWRCSPHQSFX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Fraction Csp3
0.88
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
2
Molar refractivity
39.19
TPSA
66.76
LogP / Solubility
WLOGP
-0.71
MLOGP
-0.63
XLogP3
-0.2
Consensus LogP
-0.51
Log S (ESOL)
-0.39
Class (ESOL)
Very soluble
Log S (Ali)
-0.46
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.31
Class (SILICOS-IT)
Very soluble
ADME
GI absorption
Low
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)
-4.27
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
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